5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxylic acid

Systemtic Name: 5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxylic acid Openeye Name: 5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxylic acid CAS Name: 5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxylic acid Traditional Name: 5-methyl-2-[3-(trifluoromethyl)benzyl]pyrazole-3-carboxylic acid Formula: C13H11F3N2O2 MolecularWeight: 284.23385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)O)CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC1=NN(C(=C1)C(=O)O)CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C13H11F3N2O2/c1-8-5-11(12(19)20)18(17-8)7-9-3-2-4-10(6-9)13(14,15)16/h2-6H,7H2,1H3,(H,19,20)