1-(4-cyanophenyl)-5-methyl-3-(2-methylpropyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-cyanophenyl)-5-methyl-3-(2-methylpropyl)pyrazole-4-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-3-isobutyl-5-methyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-cyanophenyl)-5-methyl-3-(2-methylpropyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-cyanophenyl)-5-methyl-3-(2-methylpropyl)pyrazole-4-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-3-isobutyl-5-methyl-pyrazole-4-carboxylic acid Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C#N)CC(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C#N)CC(C)C)C(=O)O

InChI

InChI=1S/C16H17N3O2/c1-10(2)8-14-15(16(20)21)11(3)19(18-14)13-6-4-12(9-17)5-7-13/h4-7,10H,8H2,1-3H3,(H,20,21)