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

Systemtic Name: 2-(4-chlorophenyl)-5-[4-(2-methylpropyl)phenyl]pyrazole-3-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-5-(4-isobutylphenyl)pyrazole-3-carboxylic acid CAS Name: 2-(4-chlorophenyl)-5-[4-(2-methylpropyl)phenyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-(4-chlorophenyl)-5-[4-(2-methylpropyl)phenyl]pyrazole-3-carboxylic acid Traditional Name: 2-(4-chlorophenyl)-5-(4-isobutylphenyl)pyrazole-3-carboxylic acid Formula: C20H19ClN2O2 MolecularWeight: 354.83006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN2O2/c1-13(2)11-14-3-5-15(6-4-14)18-12-19(20(24)25)23(22-18)17-9-7-16(21)8-10-17/h3-10,12-13H,11H2,1-2H3,(H,24,25)