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Details

Stereochemistry ACHIRAL
Molecular Formula C3H4N2
Molecular Weight 68.0774
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PYRAZOLE

SMILES

c1c[nH]nc1

InChI

InChIKey=WTKZEGDFNFYCGP-UHFFFAOYSA-N
InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)

HIDE SMILES / InChI

Molecular Formula C3H4N2
Molecular Weight 68.0774
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Fluorosulfonyl- and bis-(beta-chloroethyl)amino-phenylamino functionalized pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine derivatives: irreversible antagonists at the human A3 adenosine receptor and molecular modeling studies.
2001 Aug 16
A novel approach for the development of selective Cdk4 inhibitors: library design based on locations of Cdk4 specific amino acid residues.
2001 Dec 20
Potent inhibition of NFAT activation and T cell cytokine production by novel low molecular weight pyrazole compounds.
2001 Dec 21
Transmission of trans effects in dinuclear complexes.
2001 Dec 5
Potential of pyrazolooxadiazinone derivatives as serine protease inhibitors.
2001 Jan
Analysis of the in vitro inhibition of murine and human tumor cell growth by pyrazole derivatives and a substituted azabicyclo [3.1.0] hexane-2,4-dione.
2001 Jul-Aug
The design and synthesis of noncovalent factor Xa inhibitors.
2001 Jun
Supramolecular structures of cadmium(II) coordination polymers: a new class of ligands formed by linking tripodal tris(pyrazolyl)methane units.
2001 Nov 19
Fipronil-based photoaffinity probe for Drosophila and human beta 3 GABA receptors.
2001 Nov 19
Tethered pyrazolyl phosphinate: pyrazolyl-N- and phosphoryl-O-metal coordination in Ph(2)P(O)[OCH(2)CH(2)(3,5-Me(2)Pz)].
2001 Nov 5
Solution structure investigation of Ru(II) complex ion pairs: quantitative NOE measurements and determination of average interionic distances.
2001 Nov 7
Synthesis and reactions of some new substituted 6-imidazolyl-4-oxo-4H-1-benzopyran-3-carboxaldehyde and use of DNA in evaluation of their biological activity.
2001 Nov-Dec
The effects of newly synthesized pyrazole derivatives on formaldehyde-, carrageenan-, and dextran-induced acute paw edema in rats.
2001 Oct
Transition metal complexes with thiosemicarbazide-based ligands. XLII. Bis(S-methylisothiosemicarbazido-N1, N4)bis(pyrazole-N2)-nickel(II) diiodide.
2001 Oct
Hypoxia-selective antitumor agents. 16. Nitroarylmethyl quaternary salts as bioreductive prodrugs of the alkylating agent mechlorethamine.
2001 Oct 11
Selective inhibition of ICAM-1 and E-selectin expression in human endothelial cells. 2. Aryl modifications of 4-(aryloxy)thieno[2,3-c]pyridines with fine-tuning at C-2 carbamides.
2001 Oct 11
Dopamine interaction in the absence and in the presence of Cu2+ ions with macrocyclic and macrobicyclic polyamines containing pyrazole units. Crystal structures of [Cu2(L1)(H2O)2](ClO4)4 and [Cu2(H-1L3)](ClO4)3*2H2O.
2001 Oct 31
Electronic communication in oligometallic complexes with ferrocene-based tris(1-pyrazolyl)borate ligands.
2001 Sep 10
Step-by-step uncoordination of the pyrazolyl rings of hydrotris(pyrazolyl)borate ligands in comlexes of Rh and RhIII.
2001 Sep 17
4-(N,N-dipropylamino)benzaldehyde inhibits the oxidation of all-trans retinal to all-trans retinoic acid by ALDH1A1, but not the differentiation of HL-60 promyelocytic leukemia cells exposed to all-trans retinal.
2002
Synthesis of tris- and tetrakis(pyrazol-1-yl)borate gold(III) complexes. Crystal structures of [Au[kappa(2)-N,N'-BH(Pz)(3)]Cl(2)] (pz = pyrazol-1-yl) and [Au[kappa(2)-N,N'-B(Pz)(4)](kappa(2)-C,N-C(6)H(4)CH(2)NMe(2)-2)]ClO(4).CHCl(3).
2002 Apr 8
CrCpTp: a high-spin Cr(II) sandwich complex with a large structural distortion.
2002 Apr 8
3-Aryl pyrazolo[4,3-d]pyrimidine derivatives: Nonpeptide CRF-1 antagonists.
2002 Aug 19
Polarization IR spectra of hydrogen bonded pyrazole crystals: self-organization effects in proton and deuteron mixture systems. Long-range H/D isotopic effects.
2002 Feb
Antimicrobial and antitumor activity of N-heteroimmine-1,2,3-dithiazoles and their transformation in triazolo-, imidazo-, and pyrazolopirimidines.
2002 Feb
Lack of association between CYP2A5 induction and apoptosis in mouse primary hepatocytes.
2002 Feb 1
Syntheses and solid state structures of tris(pyrazolyl)methane complexes of sodium, potassium, calcium, and strontium: comparison of structures with analogous complexes of lead(II).
2002 Jan 14
7-Substituted 5-amino-2-(2-furyl)pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidines as A2A adenosine receptor antagonists: a study on the importance of modifications at the side chain on the activity and solubility.
2002 Jan 3
Structure-activity relationships for pyrido-, imidazo-, pyrazolo-, pyrazino-, and pyrrolophenazinecarboxamides as topoisomerase-targeted anticancer agents.
2002 Jan 31
Two recessive gene inheritance for triallate resistance in Avena fatua L.
2002 Jan-Feb
Spectroscopic study on charge transfer molecular complexes of pyrazole derivatives with some pi-electron acceptors.
2002 Jul
Development of a physiologically based pharmacokinetic model for methyl ethyl ketone in F344 rats.
2002 Jul 12
The highly stable alcohol dehydrogenase of Thermomicrobium roseum: purification and molecular characterization.
2002 Jun
Stereo- and enantioselective alkene epoxidations: a comparative study of D4- and D2-symmetric homochiral trans-dioxoruthenium(VI) porphyrins.
2002 Jun 3
Reaction of malondialdehyde-DNA adducts with hydrazines-development of a facile assay for quantification of malondialdehyde equivalents in DNA.
2002 Mar
Antagonists selective for estrogen receptor alpha.
2002 Mar
Synthesis of some A- and D-ring fused steroidal pyrazoles, isoxazoles and pyrimidines.
2002 Mar
Cytochrome P450 2E1-derived reactive oxygen species mediate paracrine stimulation of collagen I protein synthesis by hepatic stellate cells.
2002 Mar 22
Pyrazolyl-bridged iridium dimers. 18.(1) influence of metal-metal bonding on the geometry of diiridium(II) adducts and hydrido-diiridium complexes formed from the diiridium(I) prototype [Ir(mu-pz)(PPh(3))(CO)](2) (pzH = Pyrazole) by dihydrogen addition or protonation.
2002 Mar 25
Nickel complexes of bidentate [S2] and [SN] borato ligands.
2002 Mar 25
Molecular interaction of the antagonist N-(piperidin-1-yl)-5-(4-chlorophenyl)-1- (2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide with the CB1 cannabinoid receptor.
2002 Mar 28
Synthesis and antitumor evaluation of new polysubstituted thiazole and derived thiazolo[4, 5-d]pyrimidine systems.
2002 May
Solid-state (67)zn NMR spectroscopy in bioinorganic chemistry. Spectra of four- and six-coordinate zinc pyrazolylborate complexes obtained by management of proton relaxation rates with a paramagnetic dopant.
2002 May 22
Synthesis and mechanism of action of novel pyrimidinyl pyrazole derivatives possessing antiproliferative activity.
2002 Nov 4
Cytochrome P450 2E1 dependent catalytic activity and lipid peroxidation in rat blood lymphocytes.
2002 Oct 11
Structure-affinity relationships of the affinity of 2-pyrazolyl adenosine analogues for the adenosine A2A receptor.
2002 Oct 21
Synthesis and characterization of a series of (hydroperoxo)-, (alkylperoxo)-, and (mu-peroxo)palladium complexes containing the hydrotris(3,5-diisopropylpyrazolyl)borato ligand (Tp(iPr2)): (Tp(iPr2))(py)Pd-OO-X [X = H, t-Bu, Pd(Tp(iPr2))(py)] and (Tp(iPr2))(py)Pd-(mu-kappa(1):kappa(2)-OO)-PdTp(iPr2).
2002 Oct 7
Towards evidence based emergency medicine: best BETs from the Manchester Royal Infirmary. Management of acute ethylene glycol poisoning.
2002 Sep
Dimorphic exanthema manifested as reticular maculopapular exanthema and erythema multiforme major associated with pyrazolon derivatives.
2002 Sep-Oct
Patents
Substance Class Chemical
Created
by admin
on Sat Jun 26 00:35:39 UTC 2021
Edited
by admin
on Sat Jun 26 00:35:39 UTC 2021
Record UNII
3QD5KJZ7ZJ
Record Status Validated (UNII)
Record Version
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Name Type Language
PYRAZOLE
MI  
Systematic Name English
PYRAZOLE [MI]
Common Name English
NSC-45410
Code English
Classification Tree Code System Code
NCI_THESAURUS C29396
Created by admin on Sat Jun 26 00:35:39 UTC 2021 , Edited by admin on Sat Jun 26 00:35:39 UTC 2021
Code System Code Type Description
NCI_THESAURUS
C45670
Created by admin on Sat Jun 26 00:35:39 UTC 2021 , Edited by admin on Sat Jun 26 00:35:39 UTC 2021
PRIMARY NCIT
CAS
288-13-1
Created by admin on Sat Jun 26 00:35:39 UTC 2021 , Edited by admin on Sat Jun 26 00:35:39 UTC 2021
PRIMARY
MERCK INDEX
M9341
Created by admin on Sat Jun 26 00:35:39 UTC 2021 , Edited by admin on Sat Jun 26 00:35:39 UTC 2021
PRIMARY Merck Index
DRUG BANK
DB02757
Created by admin on Sat Jun 26 00:35:39 UTC 2021 , Edited by admin on Sat Jun 26 00:35:39 UTC 2021
PRIMARY
PUBCHEM
1048
Created by admin on Sat Jun 26 00:35:39 UTC 2021 , Edited by admin on Sat Jun 26 00:35:39 UTC 2021
PRIMARY
WIKIPEDIA
PYRAZOLE
Created by admin on Sat Jun 26 00:35:39 UTC 2021 , Edited by admin on Sat Jun 26 00:35:39 UTC 2021
PRIMARY
ECHA (EC/EINECS)
206-017-1
Created by admin on Sat Jun 26 00:35:39 UTC 2021 , Edited by admin on Sat Jun 26 00:35:39 UTC 2021
PRIMARY
EPA CompTox
288-13-1
Created by admin on Sat Jun 26 00:35:39 UTC 2021 , Edited by admin on Sat Jun 26 00:35:39 UTC 2021
PRIMARY
MESH
C031280
Created by admin on Sat Jun 26 00:35:39 UTC 2021 , Edited by admin on Sat Jun 26 00:35:39 UTC 2021
PRIMARY
FDA UNII
3QD5KJZ7ZJ
Created by admin on Sat Jun 26 00:35:39 UTC 2021 , Edited by admin on Sat Jun 26 00:35:39 UTC 2021
PRIMARY
Related Record Type Details
INDUCER -> METABOLIC ENZYME