fenpyrazamine (CHEBI:83327)

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ChEBI Name	fenpyrazamine

ChEBI ID	CHEBI:83327

Definition	A pyrazolone that is pyazol-3-one which is substituted at positions 2, 4, and 5 by isopropyl, o-methylphenyl, and amino groups, respectively, and in which the hydrogen attached to the nitrogen at position 1 is replaced by an S-allyl carbothioate moiety. A fungicide, it is used for the control of Botrytis in the greenhouse cultivation of tomatoes, peppers, and cucumbers.

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

Supplier Information

Download	Molfile XML SDF

Formula

C17H21N3O2S

Net Charge

Average Mass

331.43300

Monoisotopic Mass

331.13545

InChI

InChI=1S/C17H21N3O2S/c1-5-10-23-17(22)20-15(18)14(16(21)19(20)11(2)3)13-9-7-6-8-12(13)4/h5-9,11H,1,10,18H2,2-4H3

InChIKey

UTOHZQYBSYOOGC-UHFFFAOYSA-N

SMILES

CC(C)n1n(C(=O)SCC=C)c(N)c(-c2ccccc2C)c1=O

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. sterol biosynthesis inhibitor Any compound that inhibits the biosynthesis of any sterol.

Application(s):	antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.

ChEBI Ontology
Outgoing	fenpyrazamine (CHEBI:83327) has role antifungal agrochemical (CHEBI:86328) fenpyrazamine (CHEBI:83327) has role sterol biosynthesis inhibitor (CHEBI:83317) fenpyrazamine (CHEBI:83327) is a primary amino compound (CHEBI:50994) fenpyrazamine (CHEBI:83327) is a pyrazolone (CHEBI:83328) fenpyrazamine (CHEBI:83327) is a thioester (CHEBI:51277)

IUPAC Name

S-allyl 5-amino-2-isopropyl-4-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-pyrazole-1-carbothioat

Synonyms	Sources
5-amino-2-isopropyl-3-oxo-4-o-tolyl-2,3-dihydropyrazole-1-thiocarboxylic acid S-allyl ester	ChEBI
S-2-propen-1-yl 5-amino-2,3-dihydro-2-(1-methylethyl)-4-(2-methylphenyl)-3-oxo-1H-pyrazole-1-carbothioate	ChemIDplus
S-allyl 5-amino-2,3-dihydro-2-isopropyl-3-oxo-4-(o-tolyl)pyrazole-1-carbothioate	ChemIDplus

Brand Name	Source
Botrycide	ChEBI

Last Modified

08 July 2015