Molecule ID: 56841657

IUPAC Name: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(2-methylprop-2-enylamino)-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile

Description: The molecule is a member of the class of pyrazoles that is 1H-pyrazole that is substituted at positions 1, 3, 4, and 5 by 2,6-dichloro-4-(trifluoromethyl)phenyl, cyano, (trifluoromethyl)sulfinyl, and (2-methylprop-2-en-1-yl)nitrilo groups, respectively. It is a dichlorobenzene, a member of (trifluoromethyl)benzenes, a member of pyrazoles, a nitrile and a sulfoxide.

SMILES: C=C(C)CNc1c(S(=O)C(F)(F)F)c(C#N)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

SELFIES: [C][=C][Branch1][C][C][C][N][C][=C][Branch1][=N][S][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][Ring1][C][#N][=N][N][Ring1][=N][C][=C][Branch1][C][Cl][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][Cl]

InChI: InChI=1S/C16H10Cl2F6N4OS/c1-7(2)6-26-14-13(30(29)16(22,23)24)11(5-25)27-28(14)12-9(17)3-8(4-10(12)18)15(19,20)21/h3-4,26H,1,6H2,2H3

Molecular Properties:
- Polar Surface Area: 89.9 Ų
- LogP: 6.5