1-(3-cyanophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-cyanophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 1-(3-cyanophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-cyanophenyl)-5-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-cyanophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 1-(3-cyanophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C12H6F3N3O2 MolecularWeight: 281.19015

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H6F3N3O2/c13-12(14,15)10-9(11(19)20)6-17-18(10)8-3-1-2-7(4-8)5-16/h1-4,6H,(H,19,20)