1-(4-methylphenyl)-5-phenyl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-methylphenyl)-5-phenyl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 5-phenyl-1-(p-tolyl)-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 1-(4-methylphenyl)-5-phenyl-3-[3-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-methylphenyl)-5-phenyl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 5-phenyl-1-(p-tolyl)-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C24H17F3N2O2 MolecularWeight: 422.39919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C3=CC(=CC=C3)C(F)(F)F)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C3=CC(=CC=C3)C(F)(F)F)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C24H17F3N2O2/c1-15-10-12-19(13-11-15)29-22(16-6-3-2-4-7-16)20(23(30)31)21(28-29)17-8-5-9-18(14-17)24(25,26)27/h2-14H,1H3,(H,30,31)