ethyl 1-(3-aminophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(3-aminophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-(3-aminophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-(3-aminophenyl)-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-aminophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-(3-aminophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C13H12F3N3O2 MolecularWeight: 299.24849

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)N)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)N)C(F)(F)F

InChI

InChI=1S/C13H12F3N3O2/c1-2-21-12(20)10-7-18-19(11(10)13(14,15)16)9-5-3-4-8(17)6-9/h3-7H,2,17H2,1H3