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CHEBI:146239 - pyrafluprole

Default Structure
ChEBI IDCHEBI:146239
ChEBI Namepyrafluprole
Stars
DefinitionA member of the class of pyrazoles that is 1H-pyrazole which is substituted by a 2,6-dichloro-4-(trifluoromethyl)phenyl, nitrile, (fluoromethyl)sulfanediyl and [(pyrazin-2-yl)methyl]nitrilo groups at positions 1,3,4 and 5, respectively. It is an experimental insecticide introduced by Nihon Nohyaku Co Ltd, Japan.
Last Modified28 February 2020
SubmitterAdnan
DownloadsMolfile
FormulaC17H10Cl2F4N6S
Net Charge0
Average Mass477.274
Monoisotopic Mass476.00008
SMILESN#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(NCc2cnccn2)c1SCF
InChIInChI=1S/C17H10Cl2F4N6S/c18-11-3-9(17(21,22)23)4-12(19)14(11)29-16(15(30-8-20)13(5-24)28-29)27-7-10-6-25-1-2-26-10/h1-4,6,27H,7-8H2
InChIKeyDDIQWGKUSJOETH-UHFFFAOYSA-N
Roles Classification
Application:
insecticide  Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
ChEBI Ontology
Outgoing Relation(s)
pyrafluprole (CHEBI:146239) is a (trifluoromethyl)benzenes (CHEBI:83565)
pyrafluprole (CHEBI:146239) is a dichlorobenzene (CHEBI:23697)
pyrafluprole (CHEBI:146239) is a nitrile (CHEBI:18379)
pyrafluprole (CHEBI:146239) is a organic sulfide (CHEBI:16385)
pyrafluprole (CHEBI:146239) is a phenylpyrazole insecticide (CHEBI:39090)
IUPAC Name 
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(fluoromethyl)sulfanyl]-5-[(pyrazin-2-ylmethyl)amino]-1H-pyrazole-3-carbonitrile
Synonyms  Source
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(fluoromethyl)thio]-5-[(2-pyrazinylmethyl)amino]-1H-pyrazole-3-carbonitrileAlan Wood's Pesticides
1-(2,6-dichloro-α,α,α-trifluoro-p-tolyl)-4-[(fluoromethyl)thio]-5-[(pyrazinylmethyl)amino]-1H-pyrazole-3-carbonitrileAlan Wood's Pesticides
V 3039ChEBI
V-3039ChEBI
V3039ChEBI
Manual XrefsDatabases
3071PPDB
pyrafluproleAlan Wood's Pesticides
Registry NumbersSources
Reaxys:18528378Reaxys
CAS:315208-17-4ChemIDplus
Citations