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

Systemtic Name: 1-(3,4-dimethylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 1-(3,4-dimethylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 1-(3,4-dimethylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-(3,4-dimethylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 1-(3,4-dimethylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C25H19F3N2O2 MolecularWeight: 436.42577

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19F3N2O2/c1-15-8-13-20(14-16(15)2)30-23(18-6-4-3-5-7-18)21(24(31)32)22(29-30)17-9-11-19(12-10-17)25(26,27)28/h3-14H,1-2H3,(H,31,32)