1-(2-cyanoethyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(2-cyanoethyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 1-(2-cyanoethyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 1-(2-cyanoethyl)-5-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(2-cyanoethyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 1-(2-cyanoethyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C8H6F3N3O2 MolecularWeight: 233.14735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NN(C(=C1C(=O)O)C(F)(F)F)CCC#N

Isomeric SMILES

C1=NN(C(=C1C(=O)O)C(F)(F)F)CCC#N

InChI

InChI=1S/C8H6F3N3O2/c9-8(10,11)6-5(7(15)16)4-13-14(6)3-1-2-12/h4H,1,3H2,(H,15,16)