Pyrazole

Details

Stereochemistry	ACHIRAL
Molecular Formula	C3H4N2
Molecular Weight	68.0773
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

N1C=CC=N1

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	68.0773
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Synthesis and mechanism of action of novel pyrimidinyl pyrazole derivatives possessing antiproliferative activity.	2002-11-04	12372531
Structure-affinity relationships of the affinity of 2-pyrazolyl adenosine analogues for the adenosine A2A receptor.	2002-10-21	12270178
Cytochrome P450 2E1 dependent catalytic activity and lipid peroxidation in rat blood lymphocytes.	2002-10-11	12270756
Dimorphic exanthema manifested as reticular maculopapular exanthema and erythema multiforme major associated with pyrazolon derivatives.	2002-10-09	12370143
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).	2002-10-07	12354063
Towards evidence based emergency medicine: best BETs from the Manchester Royal Infirmary. Management of acute ethylene glycol poisoning.	2002-09	12204996
3-Aryl pyrazolo[4,3-d]pyrimidine derivatives: Nonpeptide CRF-1 antagonists.	2002-08-19	12127521
Design, synthesis and biological activity of rigid cannabinoid CB1 receptor antagonists.	2002-08	12192147
Development of a physiologically based pharmacokinetic model for methyl ethyl ketone in F344 rats.	2002-07-12	12133235
Pyrazole urea-based inhibitors of p38 MAP kinase: from lead compound to clinical candidate.	2002-07-04	12086485
Spectroscopic study on charge transfer molecular complexes of pyrazole derivatives with some pi-electron acceptors.	2002-07	12164488
A mechanistic investigation of oxidative addition of methyl iodide to [Tp*Rh(CO)(L)].	2002-06-17	12055007
Stereo- and enantioselective alkene epoxidations: a comparative study of D4- and D2-symmetric homochiral trans-dioxoruthenium(VI) porphyrins.	2002-06-03	12180328
The highly stable alcohol dehydrogenase of Thermomicrobium roseum: purification and molecular characterization.	2002-06	12031468
Sequential functionalization of pyrazole 1-oxides via regioselective metalation: synthesis of 3,4,5-trisubstituted 1-hydroxypyrazoles.	2002-05-31	12027711
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.	2002-05-22	12010060
Two recessive gene inheritance for triallate resistance in Avena fatua L.	2002-05-16	12011175
Tuning and dissecting electronic and steric effects in ammonium receptors: nonactin vs artificial receptors.	2002-05-15	11996578
Cu(2+)-induced formation of cage-like compounds containing pyrazole macrocycles.	2002-05-07	12123056
Synthesis and molecular structure of [[(HBpz(3))Rh(PPh(3))(mu-Cl)(2)](2)Ag]BF(4) (Hpz = pyrazole), a heterotrinuclear Rh(2)Ag compound with square-planar silver(I).	2002-05-06	11978103
Synthesis and antitumor evaluation of new polysubstituted thiazole and derived thiazolo[4, 5-d]pyrimidine systems.	2002-05	12210778
Tetrakis(5-tert-butylpyrazole-1kappaN2)tetrachloro-1kappaCl,2kappa3Cl-micro-oxo-1:2kappa2O-diiron(III).	2002-05	11983969
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).	2002-04-08	11925182
CrCpTp: a high-spin Cr(II) sandwich complex with a large structural distortion.	2002-04-08	11925159
Heterogeneous nuclear ribonucleoprotein A1 and regulation of the xenobiotic-inducible gene Cyp2a5.	2002-04	11901218
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.	2002-03-28	11906286
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.	2002-03-25	11896709
Nickel complexes of bidentate [S2] and [SN] borato ligands.	2002-03-25	11896705
Cytochrome P450 2E1-derived reactive oxygen species mediate paracrine stimulation of collagen I protein synthesis by hepatic stellate cells.	2002-03-22	11782477
New structural forms in molecular metal phosphonates: novel tri- and hexanuclear zinc(II) cages containing phosphonate and pyrazole ligands.	2002-03-11	11874331
Bioaffinity purification of NADP(+)-dependent dehydrogenases: studies with alcohol dehydrogenase from Thermoanaerobacter brockii.	2002-03-05	11788950
Synthesis and antifungal activity of new N-(1-phenyl-4-carbetoxypyrazol-5-yl)-, N-(indazol-3-yl)- and N-(indazol-5-yl)-2-iodobenzamides.	2002-03	11989795
Reaction of malondialdehyde-DNA adducts with hydrazines-development of a facile assay for quantification of malondialdehyde equivalents in DNA.	2002-03	11896677
A copper(II)-pyrazole complex cation with (macro)3 imposed symmetry.	2002-03	11870296
Antagonists selective for estrogen receptor alpha.	2002-03	11861516
Synthesis of some A- and D-ring fused steroidal pyrazoles, isoxazoles and pyrimidines.	2002-03	11856544
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.	2002-02-02	11822227
Lack of association between CYP2A5 induction and apoptosis in mouse primary hepatocytes.	2002-02-01	11853694
Polarization IR spectra of hydrogen bonded pyrazole crystals: self-organization effects in proton and deuteron mixture systems. Long-range H/D isotopic effects.	2002-02	11905541
Antimicrobial and antitumor activity of N-heteroimmine-1,2,3-dithiazoles and their transformation in triazolo-, imidazo-, and pyrazolopirimidines.	2002-02	11741793
Structure-activity relationships for pyrido-, imidazo-, pyrazolo-, pyrazino-, and pyrrolophenazinecarboxamides as topoisomerase-targeted anticancer agents.	2002-01-31	11806725
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).	2002-01-14	11782139
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.	2002-01-03	11754583
Synthesis and antimalarial activity of substituted pyrazole derivatives.	2002	12109050
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	11872149
A novel approach for the development of selective Cdk4 inhibitors: library design based on locations of Cdk4 specific amino acid residues.	2001-12-20	11741480
Transmission of trans effects in dinuclear complexes.	2001-12-05	11724599
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.	2001-11-29	11724288
Supramolecular structures of cadmium(II) coordination polymers: a new class of ligands formed by linking tripodal tris(pyrazolyl)methane units.	2001-11-19	11703122
The design and synthesis of noncovalent factor Xa inhibitors.	2001-06	11899249

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:49:29 GMT 2025` Edited by `admin` on `Mon Mar 31 18:49:29 GMT 2025`
Record UNII	3QD5KJZ7ZJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Pyrazole

Systematic Name

English

NSC-45410

Preferred Name

English

PYRAZOLE [MI]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29396