ethyl (5R)-3-azanyl-4-cyano-2-pyridin-2-yl-5-(trifluoromethyl)-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl (5R)-3-azanyl-4-cyano-2-pyridin-2-yl-5-(trifluoromethyl)-1H-pyrazole-5-carboxylate Openeye Name: ethyl (5R)-3-amino-4-cyano-2-(2-pyridyl)-5-(trifluoromethyl)-1H-pyrazole-5-carboxylate CAS Name: (5R)-3-amino-4-cyano-2-(2-pyridinyl)-5-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (5R)-3-amino-4-cyano-2-pyridin-2-yl-5-(trifluoromethyl)-1H-pyrazole-5-carboxylate Traditional Name: (3R)-5-amino-4-cyano-1-(2-pyridyl)-3-(trifluoromethyl)-3-pyrazoline-3-carboxylic acid ethyl ester Formula: C13H12F3N5O2 MolecularWeight: 327.26189

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(=C(N(N1)C2=CC=CC=N2)N)C#N)C(F)(F)F

Isomeric SMILES

CCOC(=O)[C@]1(C(=C(N(N1)C2=CC=CC=N2)N)C#N)C(F)(F)F

InChI

InChI=1S/C13H12F3N5O2/c1-2-23-11(22)12(13(14,15)16)8(7-17)10(18)21(20-12)9-5-3-4-6-19-9/h3-6,20H,2,18H2,1H3/t12-/m1/s1