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

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

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ChEBI ID	CHEBI:141385
ChEBI Name	2-(4-tert-butylphenyl)-3-hydroxy-3-(1,3,4-trimethyl-1H-pyrazol-5-yl)acrylonitrile
Stars
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.
Last Modified	29 August 2018
Submitter	Adnan
Downloads	Molfile

Formula	C19H23N3O
Net Charge	0
Average Mass	309.413
Monoisotopic Mass	309.18411
SMILES	Cc1nn(C)c(C(O)=C(C#N)c2ccc(C(C)(C)C)cc2)c1C
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

Roles Classification

acaricide A substance used to destroy pests of the subclass Acari (mites and ticks).

agrochemical An agrochemical is a substance that is used in agriculture or horticulture.

ChEBI Ontology

Outgoing Relation(s)
	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 Numbers	Sources
Reaxys:22292325	Reaxys

Citations