[1-[5-Chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(4-chlorophenoxy)-2-cyanoethenyl] 2,2-dimethylpropanoate

HCID 69656346
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Basic information

Standard SMILES
Cn1nc(C(F)(F)F)c(C(OC(=O)C(C)(C)C)=C(C#N)Oc2ccc(Cl)cc2)c1Cl
InChIKey
CWYKMEZFMYYDDN-UHFFFAOYSA-N
Molecular formula
C19H16Cl2F3N3O3
Average molar mass
462.2 g/mol

Names & identifiers

Preferred name
[1-[5-Chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(4-chlorophenoxy)-2-cyanoethenyl] 2,2-dimethylpropanoate
IUPAC
[1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(4-chlorophenoxy)-2-cyanoethenyl] 2,2-dimethylpropanoate

Names & synonyms

SCHEMBL6078962CWYKMEZFMYYDDN-UHFFFAOYSA-N[1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(4-chlorophenoxy)-2-cyanoethenyl] 2,2-dimethylpropanoate

Database identifiers

PubChem CID
69656346

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
77.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
30

Related reactions

1 records
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Compound notes

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