3-azanyl-5-ethyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrazole-4-carboxylic acid

Systemtic Name: 3-azanyl-5-ethyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrazole-4-carboxylic acid Openeye Name: 3-amino-5-ethyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid CAS Name: 3-amino-5-ethyl-1-(2,2,2-trifluoroethyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-amino-5-ethyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid Traditional Name: 3-amino-5-ethyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid Formula: C8H10F3N3O2 MolecularWeight: 237.17911

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1CC(F)(F)F)N)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1CC(F)(F)F)N)C(=O)O

InChI

InChI=1S/C8H10F3N3O2/c1-2-4-5(7(15)16)6(12)13-14(4)3-8(9,10)11/h2-3H2,1H3,(H2,12,13)(H,15,16)