3-(4-cyanophenyl)-1-(4-methylphenyl)-5-propan-2-yl-pyrazole-4-carboxylic acid

Systemtic Name: 3-(4-cyanophenyl)-1-(4-methylphenyl)-5-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 3-(4-cyanophenyl)-5-isopropyl-1-(p-tolyl)pyrazole-4-carboxylic acid CAS Name: 3-(4-cyanophenyl)-1-(4-methylphenyl)-5-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 3-(4-cyanophenyl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 3-(4-cyanophenyl)-5-isopropyl-1-(p-tolyl)pyrazole-4-carboxylic acid Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C3=CC=C(C=C3)C#N)C(=O)O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C3=CC=C(C=C3)C#N)C(=O)O)C(C)C

InChI

InChI=1S/C21H19N3O2/c1-13(2)20-18(21(25)26)19(16-8-6-15(12-22)7-9-16)23-24(20)17-10-4-14(3)5-11-17/h4-11,13H,1-3H3,(H,25,26)