CHEBI:141385 - 2-(4-tert-butylphenyl)-3-hydroxy-3-(1,3,4-trimethyl-1H-pyrazol-5-yl)acrylonitrile

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ChEBI Name 2-(4-tert-butylphenyl)-3-hydroxy-3-(1,3,4-trimethyl-1H-pyrazol-5-yl)acrylonitrile
ChEBI ID CHEBI:141385
ChEBI ASCII Name 2-(4-tert-butylphenyl)-3-hydroxy-3-(1,3,4-trimethyl-1H-pyrazol-5-yl)acrylonitrile
Definition 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H23N3O
Net Charge 0
Average Mass 309.406
Monoisotopic Mass 309.18411
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
InChIKey XKBKVWOCMYMJQQ-UHFFFAOYSA-N
SMILES C1(=CC=C(C=C1)C(=C(C2=C(C(=NN2C)C)C)O)C#N)C(C)(C)C
Roles Classification
Application(s): agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
acaricide
A substance used to destroy pests of the subclass Acari (mites and ticks).
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ChEBI Ontology
Outgoing 2-(4-tert-butylphenyl)-3-hydroxy-3-(1,3,4-trimethyl-1H-pyrazol-5-yl)acrylonitrile (CHEBI:141385) has role acaricide (CHEBI:22153)
2-(4-tert-butylphenyl)-3-hydroxy-3-(1,3,4-trimethyl-1H-pyrazol-5-yl)acrylonitrile (CHEBI:141385) has role agrochemical (CHEBI:33286)
2-(4-tert-butylphenyl)-3-hydroxy-3-(1,3,4-trimethyl-1H-pyrazol-5-yl)acrylonitrile (CHEBI:141385) is a benzenes (CHEBI:22712)
2-(4-tert-butylphenyl)-3-hydroxy-3-(1,3,4-trimethyl-1H-pyrazol-5-yl)acrylonitrile (CHEBI:141385) is a enol (CHEBI:33823)
2-(4-tert-butylphenyl)-3-hydroxy-3-(1,3,4-trimethyl-1H-pyrazol-5-yl)acrylonitrile (CHEBI:141385) is a nitrile (CHEBI:18379)
2-(4-tert-butylphenyl)-3-hydroxy-3-(1,3,4-trimethyl-1H-pyrazol-5-yl)acrylonitrile (CHEBI:141385) is a pyrazoles (CHEBI:26410)
IUPAC Name
2-(4-tert-butylphenyl)-3-hydroxy-3-(1,3,4-trimethyl-1H-pyrazol-5-yl)acrylonitrile
Synonym Source
3-hydroxy-3-(1,3,4-trimethyl-1H-pyrazol-5-yl)-2-(4-tert-butylphenyl)acrylonitrile ChEBI
Registry Number Type Source
22292325 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23997025 PubMed citation Europe PMC
26118668 PubMed citation Europe PMC
Last Modified
29 August 2018