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

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

CCCC1=C(C(=NN1C2=CC=CC=C2C(F)(F)F)CC(C)C)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=CC=C2C(F)(F)F)CC(C)C)C(=O)O

InChI

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