1-(2-Cyanoethyl)-5-phenyl-1H-pyrazole-4-carboxylic acid

CAS Registry Number®

1292636-76-0
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CAS Name

1-(2-Cyanoethyl)-5-phenyl-1H-pyrazole-4-carboxylic acid

Molecular Formula

C13H11N3O2

Molecular Mass

241.25

Cite this Page

1-(2-Cyanoethyl)-5-phenyl-1H-pyrazole-4-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1292636-76-0 (retrieved 2024-09-07) (CAS RN: 1292636-76-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H11N3O2/c14-7-4-8-16-12(10-5-2-1-3-6-10)11(9-15-16)13(17)18/h1-3,5-6,9H,4,8H2,(H,17,18)

InChIKey

InChIKey=ADCUOAJQCJMPLG-UHFFFAOYSA-N

SMILES

C(CC#N)N1C(=C(C(O)=O)C=N1)C2=CC=CC=C2

Canonical SMILES

N#CCCN1N=CC(C(=O)O)=C1C=2C=CC=CC2

Other Names for this Substance

  • 1H-Pyrazole-4-carboxylic acid, 1-(2-cyanoethyl)-5-phenyl-
  • 1-(2-Cyanoethyl)-5-phenyl-1H-pyrazole-4-carboxylic acid