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

Systemtic Name: 3-(2-methylpropyl)-5-propan-2-yl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 3-isobutyl-5-isopropyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 3-(2-methylpropyl)-5-propan-2-yl-1-[2-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 3-(2-methylpropyl)-5-propan-2-yl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 3-isobutyl-5-isopropyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C18H21F3N2O2 MolecularWeight: 354.36675

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(=C1C(=O)O)C(C)C)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CC(C)CC1=NN(C(=C1C(=O)O)C(C)C)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C18H21F3N2O2/c1-10(2)9-13-15(17(24)25)16(11(3)4)23(22-13)14-8-6-5-7-12(14)18(19,20)21/h5-8,10-11H,9H2,1-4H3,(H,24,25)