cyenopyrafen (CHEBI:81820)

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ChEBI Name	cyenopyrafen

ChEBI ID	CHEBI:81820

Definition	A member of the class of pyrazoles that is ethene in which the hydrogens at position 1 have been replaced by p-tert-butylphenyl and cyano groups, while the hydrogens at position 2 have been replaced by pivaloyloxy and 1,3,4-trimethylpyrazol-5-yl groups (the E isomer).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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C24H31N3O2

Net Charge

Average Mass

393.523

Monoisotopic Mass

393.24163

InChI

InChI=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-

InChIKey

APJLTUBHYCOZJI-VZCXRCSSSA-N

SMILES

C1(=CC=C(C=C1)/C(=C(/C2=C(C(=NN2C)C)C)\OC(C(C)(C)C)=O)/C#N)C(C)(C)C

Roles Classification
Application(s):	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. agrochemical An agrochemical is a substance that is used in agriculture or horticulture.

ChEBI Ontology
Outgoing	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	Sources
(1E)-2-(4-tert-butylphenyl)-2-cyano-1-(1,3,4-trimethyl-1H-pyrazol-5-yl)ethenyl 2,2-dimethylpropanoate	Alan Wood's Pesticides
(1E)-2-cyano-2-[4-(1,1-dimethylethyl)phenyl]-1-(1,3,4-trimethyl-1H-pyrazol-5-yl)ethenyl 2,2-dimethylpropanoate	Alan Wood's Pesticides
(E)-2-(4-tert-butylphenyl)-2-cyano-1-(1,3,4-trimethylpyrazol-5-yl)vinyl 2,2-dimethylpropionate	Alan Wood's Pesticides
cyenopyrafène	ChEBI

Last Modified

28 March 2017