4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid Openeye Name: 4-[5-(p-tolyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid CAS Name: 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1-pyrazolyl]benzoic acid IUPAC Name: 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid Traditional Name: 4-[5-(p-tolyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid Formula: C18H13F3N2O2 MolecularWeight: 346.30323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C(=O)O)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C18H13F3N2O2/c1-11-2-4-12(5-3-11)15-10-16(18(19,20)21)22-23(15)14-8-6-13(7-9-14)17(24)25/h2-10H,1H3,(H,24,25)