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

Systemtic Name: 1-(4-cyanophenyl)-5-methyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-5-methyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid CAS Name: 1-(4-cyanophenyl)-5-methyl-3-(2-phenylpropyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-cyanophenyl)-5-methyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-5-methyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C#N)CC(C)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C#N)CC(C)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H19N3O2/c1-14(17-6-4-3-5-7-17)12-19-20(21(25)26)15(2)24(23-19)18-10-8-16(13-22)9-11-18/h3-11,14H,12H2,1-2H3,(H,25,26)