3-[[3,5-bis(trifluoromethyl)phenyl]amino]-5-methyl-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-[[3,5-bis(trifluoromethyl)phenyl]amino]-5-methyl-1H-pyrazole-4-carbonitrile Openeye Name: 3-[3,5-bis(trifluoromethyl)anilino]-5-methyl-1H-pyrazole-4-carbonitrile CAS Name: 3-[3,5-bis(trifluoromethyl)anilino]-5-methyl-1H-pyrazole-4-carbonitrile IUPAC Name: 3-[3,5-bis(trifluoromethyl)anilino]-5-methyl-1H-pyrazole-4-carbonitrile Traditional Name: 3-[3,5-bis(trifluoromethyl)anilino]-5-methyl-1H-pyrazole-4-carbonitrile Formula: C13H8F6N4 MolecularWeight: 334.219839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C#N

Isomeric SMILES

CC1=C(C(=NN1)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C#N

InChI

InChI=1S/C13H8F6N4/c1-6-10(5-20)11(23-22-6)21-9-3-7(12(14,15)16)2-8(4-9)13(17,18)19/h2-4H,1H3,(H2,21,22,23)