3-(2-methylpropyl)-5-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid

Systemtic Name: 3-(2-methylpropyl)-5-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 3-isobutyl-5-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 3-(2-methylpropyl)-5-phenyl-1-[2-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 3-(2-methylpropyl)-5-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 3-isobutyl-5-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C21H19F3N2O2 MolecularWeight: 388.38297

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC(C)CC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H19F3N2O2/c1-13(2)12-16-18(20(27)28)19(14-8-4-3-5-9-14)26(25-16)17-11-7-6-10-15(17)21(22,23)24/h3-11,13H,12H2,1-2H3,(H,27,28)