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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C(F)(F)F)C2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C(F)(F)F)C2=CC=CC=C2)N

InChI

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