1-phenyl-4-(trifluoromethyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-phenyl-4-(trifluoromethyl)pyrazole-3-carboxylic acid Openeye Name: 1-phenyl-4-(trifluoromethyl)pyrazole-3-carboxylic acid CAS Name: 1-phenyl-4-(trifluoromethyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-phenyl-4-(trifluoromethyl)pyrazole-3-carboxylic acid Traditional Name: 1-phenyl-4-(trifluoromethyl)pyrazole-3-carboxylic acid Formula: C11H7F3N2O2 MolecularWeight: 256.18069

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C11H7F3N2O2/c12-11(13,14)8-6-16(15-9(8)10(17)18)7-4-2-1-3-5-7/h1-6H,(H,17,18)