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CHEBI:81820 - cyenopyrafen

Default Structure
ChEBI IDCHEBI:81820
ChEBI Namecyenopyrafen
Stars
DefinitionA member of the class of pyrazoles that is ethene in which the hydrogens at position 1 have been replaced by p-tert-butylphenyl and cyano groups, while the hydrogens at position 2 have been replaced by pivaloyloxy and 1,3,4-trimethylpyrazol-5-yl groups (the E isomer). A proacaricide (by hydrolysis of the pivalate ester linkage to give the corresponding enol), it was formerly used for the control of mites in fruit, vegetables and tea.
Last Modified28 March 2017
DownloadsMolfile
FormulaC24H31N3O2
Net Charge0
Average Mass393.531
Monoisotopic Mass393.24163
SMILESCc1nn(C)c(/C(OC(=O)C(C)(C)C)=C(\C#N)c2ccc(C(C)(C)C)cc2)c1C
InChIInChI=1S/C24H31N3O2/c1-15-16(2)26-27(9)20(15)21(29-22(28)24(6,7)8)19(14-25)17-10-12-18(13-11-17)23(3,4)5/h10-13H,1-9H3/b21-19-
InChIKeyAPJLTUBHYCOZJI-VZCXRCSSSA-N
Roles Classification
Applications:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
proacaricide  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active insecticide for which it is a proacaricide.
ChEBI Ontology
Outgoing Relation(s)
cyenopyrafen (CHEBI:81820) has role agrochemical (CHEBI:33286)
cyenopyrafen (CHEBI:81820) has role proacaricide (CHEBI:136647)
cyenopyrafen (CHEBI:81820) is a nitrile (CHEBI:18379)
cyenopyrafen (CHEBI:81820) is a pivalate ester (CHEBI:50784)
cyenopyrafen (CHEBI:81820) is a pyrazoles (CHEBI:26410)
IUPAC Name 
(E)-2-(4-tert-butylphenyl)-2-cyano-1-(1,3,4-trimethyl-1H-pyrazol-5-yl)vinyl pivalate
Synonyms  Source
(1E)-2-(4-tert-butylphenyl)-2-cyano-1-(1,3,4-trimethyl-1H-pyrazol-5-yl)ethenyl 2,2-dimethylpropanoateAlan Wood's Pesticides
(1E)-2-cyano-2-[4-(1,1-dimethylethyl)phenyl]-1-(1,3,4-trimethyl-1H-pyrazol-5-yl)ethenyl 2,2-dimethylpropanoateAlan Wood's Pesticides
cyenopyrafèneChEBI
(E)-2-(4-tert-butylphenyl)-2-cyano-1-(1,3,4-trimethylpyrazol-5-yl)vinyl 2,2-dimethylpropionateAlan Wood's Pesticides
Manual XrefsDatabases
1685PPDB
C18545KEGG COMPOUND
cyenopyrafenAlan Wood's Pesticides
WO2010134618Patent
Registry NumbersSources
Reaxys:12648005Reaxys
CAS:560121-52-0Alan Wood's Pesticides
CAS:560121-52-0KEGG COMPOUND
CAS:560121-52-0ChemIDplus
Citations