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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C(=O)OC(C)(C)C)C2=CC(=CC=C2)C(F)(F)F)N

Isomeric SMILES

CCC1=C(C(=NN1C(=O)OC(C)(C)C)C2=CC(=CC=C2)C(F)(F)F)N

InChI

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