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

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	MOL RATIO 1 MOL RATIO (average)

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

Approval Year

PubMed

Show entries

Title	Date	PubMed
Pyrazolopyrimidines: synthesis, effect on histamine release from rat peritoneal mast cells and cytotoxic activity.	2001 Apr	11461757
A solid-state NMR, X-ray diffraction, and ab initio computational study of hydrogen-bond structure and dynamics of pyrazole-4-carboxylic acid chains.	2001 Aug 15	11493064
Potent inhibition of NFAT activation and T cell cytokine production by novel low molecular weight pyrazole compounds.	2001 Dec 21	11592964
High-performance liquid chromatography method for the quantification of non-radiolabelled cinnamic compounds in analytes derived from human skin absorption and metabolism experiments.	2001 Jul 15	11486835
Efficient introduction of protected guanidines in boc solid phase peptide synthesis.	2001 Jul 26	11463311

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Substance Class	Chemical
Record UNII	3QD5KJZ7ZJ
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

Pyrazole

Systematic Name

English

NSC-45410

Preferred Name

English

PYRAZOLE [MI]

Common Name

English

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Classification Tree

Code System

Code

Heterocyclic Compound

NCI_THESAURUS

C29396

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Code System

Code

Type

Description

NCI_THESAURUS

C45670

PRIMARY

NCIT

CAS

288-13-1

PRIMARY

CHEBI

14973

PRIMARY

MERCK INDEX

m9341

PRIMARY

Merck Index

DRUG BANK

DB02757

PRIMARY

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Related Record

Type

Details


					246D9TQ2XG

CYTOCHROME P450 2A6

INDUCER -> METABOLIC ENZYME

Amount:

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SMILES

InChI

Approval Year

PubMed

Patents