Molecule ID: 102401842

IUPAC Name: (E)-2-(4-tert-butylphenyl)-3-hydroxy-3-(2,4,5-trimethylpyrazol-3-yl)prop-2-enenitrile

Description: The molecule is a member of the class of pyrazoles that is cyenopyrafen in which the pivalate ester group has been hydrolysed to give the corresponding enol. It is the active acaricide of the proacaricide cyenopyrafen. It has a role as an agrochemical and an acaricide. It is a nitrile, a member of pyrazoles, an enol and a member of benzenes.

SMILES: Cc1nn(C)c(/C(O)=C(\C#N)c2ccc(C(C)(C)C)cc2)c1C

SELFIES: [C][C][=N][N][Branch1][C][C][C][Branch2][Ring1][N][/C][Branch1][C][O][=C][Branch1][Ring1][\C][#N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1][C]

InChI: InChI=1S/C19H23N3O/c1-12-13(2)21-22(6)17(12)18(23)16(11-20)14-7-9-15(10-8-14)19(3,4)5/h7-10,23H,1-6H3/b18-16-

Molecular Properties:
- Polar Surface Area: 61.8 Ų
- LogP: 3.9