tert-butyl 4-azanyl-5-ethyl-3-(3-fluorophenyl)pyrazole-1-carboxylate

Systemtic Name: tert-butyl 4-azanyl-5-ethyl-3-(3-fluorophenyl)pyrazole-1-carboxylate Openeye Name: tert-butyl 4-amino-5-ethyl-3-(3-fluorophenyl)pyrazole-1-carboxylate CAS Name: 4-amino-5-ethyl-3-(3-fluorophenyl)-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-amino-5-ethyl-3-(3-fluorophenyl)pyrazole-1-carboxylate Traditional Name: 4-amino-5-ethyl-3-(3-fluorophenyl)pyrazole-1-carboxylic acid tert-butyl ester Formula: C16H20FN3O2 MolecularWeight: 305.347303

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)F)N

Isomeric SMILES

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

InChI

InChI=1S/C16H20FN3O2/c1-5-12-13(18)14(10-7-6-8-11(17)9-10)19-20(12)15(21)22-16(2,3)4/h6-9H,5,18H2,1-4H3