5-[(4-methoxyphenyl)methylamino]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile

Systemtic Name: 5-[(4-methoxyphenyl)methylamino]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-[(4-methoxyphenyl)methylamino]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 5-[(4-methoxyphenyl)methylamino]-1-methyl-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-[(4-methoxyphenyl)methylamino]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 1-methyl-5-(p-anisylamino)-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C14H13F3N4O MolecularWeight: 310.27443

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)C#N)NCC2=CC=C(C=C2)OC

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)C#N)NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C14H13F3N4O/c1-21-13(11(7-18)12(20-21)14(15,16)17)19-8-9-3-5-10(22-2)6-4-9/h3-6,19H,8H2,1-2H3