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CHEBI:83327 - fenpyrazamine

ChEBI IDCHEBI:83327
ChEBI Namefenpyrazamine
Stars
DefinitionA 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.
Last Modified8 July 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H21N3O2S
Net Charge0
Average Mass331.441
Monoisotopic Mass331.13545
SMILESC=CCSC(=O)n1c(N)c(-c2ccccc2C)c(=O)n1C(C)C
InChIInChI=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
InChIKeyUTOHZQYBSYOOGC-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
sterol biosynthesis inhibitor  Any compound that inhibits the biosynthesis of any sterol.
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
Application:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
ChEBI Ontology
Outgoing Relation(s)
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  Source
S-2-propen-1-yl 5-amino-2,3-dihydro-2-(1-methylethyl)-4-(2-methylphenyl)-3-oxo-1H-pyrazole-1-carbothioateChemIDplus
S-allyl 5-amino-2,3-dihydro-2-isopropyl-3-oxo-4-(o-tolyl)pyrazole-1-carbothioateChemIDplus
5-amino-2-isopropyl-3-oxo-4-o-tolyl-2,3-dihydropyrazole-1-thiocarboxylic acid S-allyl esterChEBI
Brand Name  Source
BotrycideChEBI
Manual XrefsDatabases
fenpyrazamineAlan Wood's Pesticides
2010PPDB
Registry NumbersSources
Reaxys:12610944Reaxys
CAS:473798-59-3ChemIDplus