1-(4-methylphenyl)-5-propan-2-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-methylphenyl)-5-propan-2-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 5-isopropyl-1-(p-tolyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 1-(4-methylphenyl)-5-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-methylphenyl)-5-propan-2-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 5-isopropyl-1-(p-tolyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C21H19F3N2O2 MolecularWeight: 388.38297

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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(F)(F)F)C(=O)O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N2O2/c1-12(2)19-17(20(27)28)18(14-6-8-15(9-7-14)21(22,23)24)25-26(19)16-10-4-13(3)5-11-16/h4-12H,1-3H3,(H,27,28)