2-ethyl-4-[(4-fluorophenyl)methylamino]pyrazole-3-carboxylate

Systemtic Name: 2-ethyl-4-[(4-fluorophenyl)methylamino]pyrazole-3-carboxylate Openeye Name: 2-ethyl-4-[(4-fluorophenyl)methylamino]pyrazole-3-carboxylate CAS Name: 2-ethyl-4-[(4-fluorophenyl)methylamino]-3-pyrazolecarboxylate IUPAC Name: 2-ethyl-4-[(4-fluorophenyl)methylamino]pyrazole-3-carboxylate Traditional Name: 2-ethyl-4-[(4-fluorobenzyl)amino]pyrazole-3-carboxylate Formula: C13H13FN3O2- MolecularWeight: 262.259623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)NCC2=CC=C(C=C2)F)C(=O)[O-]

Isomeric SMILES

CCN1C(=C(C=N1)NCC2=CC=C(C=C2)F)C(=O)[O-]

InChI

InChI=1S/C13H14FN3O2/c1-2-17-12(13(18)19)11(8-16-17)15-7-9-3-5-10(14)6-4-9/h3-6,8,15H,2,7H2,1H3,(H,18,19)/p-1