1-[2-chloranyl-4-(trifluoromethyl)phenyl]-5-(methylamino)pyrazole-4-carbonitrile; N-propylmethanamide

Systemtic Name: 1-[2-chloranyl-4-(trifluoromethyl)phenyl]-5-(methylamino)pyrazole-4-carbonitrile; N-propylmethanamide Openeye Name: 1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(methylamino)pyrazole-4-carbonitrile; N-propylformamide CAS Name: 1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(methylamino)-4-pyrazolecarbonitrile; N-propylformamide IUPAC Name: 1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(methylamino)pyrazole-4-carbonitrile; N-propylformamide Traditional Name: 1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(methylamino)pyrazole-4-carbonitrile; N-propylformamide Formula: C16H17ClF3N5O MolecularWeight: 387.78729

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC=O.CNC1=C(C=NN1C2=C(C=C(C=C2)C(F)(F)F)Cl)C#N

Isomeric SMILES

CCCNC=O.CNC1=C(C=NN1C2=C(C=C(C=C2)C(F)(F)F)Cl)C#N

InChI

InChI=1S/C12H8ClF3N4.C4H9NO/c1-18-11-7(5-17)6-19-20(11)10-3-2-8(4-9(10)13)12(14,15)16;1-2-3-5-4-6/h2-4,6,18H,1H3;4H,2-3H2,1H3,(H,5,6)