2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyrazole-3-carboxylic acid Openeye Name: 5-(4-isobutylphenyl)-2-(o-tolyl)pyrazole-3-carboxylic acid CAS Name: 2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyrazole-3-carboxylic acid Traditional Name: 5-(4-isobutylphenyl)-2-(o-tolyl)pyrazole-3-carboxylic acid Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=N2)C3=CC=C(C=C3)CC(C)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=N2)C3=CC=C(C=C3)CC(C)C)C(=O)O

InChI

InChI=1S/C21H22N2O2/c1-14(2)12-16-8-10-17(11-9-16)18-13-20(21(24)25)23(22-18)19-7-5-4-6-15(19)3/h4-11,13-14H,12H2,1-3H3,(H,24,25)