1-(2-cyanoethyl)-3-(4-methylphenyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(2-cyanoethyl)-3-(4-methylphenyl)pyrazole-4-carboxylic acid Openeye Name: 1-(2-cyanoethyl)-3-(p-tolyl)pyrazole-4-carboxylic acid CAS Name: 1-(2-cyanoethyl)-3-(4-methylphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(2-cyanoethyl)-3-(4-methylphenyl)pyrazole-4-carboxylic acid Traditional Name: 1-(2-cyanoethyl)-3-(p-tolyl)pyrazole-4-carboxylic acid Formula: C14H13N3O2 MolecularWeight: 255.27192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)O)CCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)O)CCC#N

InChI

InChI=1S/C14H13N3O2/c1-10-3-5-11(6-4-10)13-12(14(18)19)9-17(16-13)8-2-7-15/h3-6,9H,2,8H2,1H3,(H,18,19)