5-azanyl-1-(phenylmethyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-(phenylmethyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-amino-1-benzyl-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 5-amino-1-(phenylmethyl)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-benzyl-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-1-benzyl-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C12H9F3N4 MolecularWeight: 266.22187

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C(=N2)C(F)(F)F)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C(=N2)C(F)(F)F)C#N)N

InChI

InChI=1S/C12H9F3N4/c13-12(14,15)10-9(6-16)11(17)19(18-10)7-8-4-2-1-3-5-8/h1-5H,7,17H2