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

Systemtic Name: 5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid Openeye Name: 5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid CAS Name: 5-methyl-1-[4-(trifluoromethyl)phenyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid Traditional Name: 5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid Formula: C12H9F3N2O2 MolecularWeight: 270.20727

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C12H9F3N2O2/c1-7-6-10(11(18)19)16-17(7)9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,18,19)