ethyl 4-azanyl-1-butyl-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 4-azanyl-1-butyl-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 4-amino-1-butyl-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate CAS Name: 4-amino-1-butyl-5-[4-(trifluoromethyl)phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-1-butyl-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Traditional Name: 4-amino-1-butyl-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C17H20F3N3O2 MolecularWeight: 355.35481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C(=O)OCC)N)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCCN1C(=C(C(=N1)C(=O)OCC)N)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H20F3N3O2/c1-3-5-10-23-15(13(21)14(22-23)16(24)25-4-2)11-6-8-12(9-7-11)17(18,19)20/h6-9H,3-5,10,21H2,1-2H3