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CHEBI:141518 - pyrasulfotole

ChEBI IDCHEBI:141518
ChEBI Namepyrasulfotole
Stars
DefinitionA pyrazole pesticide that is 1,3-dimethylpyrazol-5-ol in thich the hydrogen at position 4 has been replaced by a 2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl group. A 4-hydroxyphenylpyruvate dioxygenase inhibitor, it is used as a herbicide (particularly in conjunction with the safener mefenpyr-diethyl) to control various broad-leaved weeds.
Last Modified29 July 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H13F3N2O4S
Net Charge0
Average Mass362.329
Monoisotopic Mass362.05481
SMILESCc1nn(C)c(O)c1C(=O)c1ccc(C(F)(F)F)cc1S(C)(=O)=O
InChIInChI=1S/C14H13F3N2O4S/c1-7-11(13(21)19(2)18-7)12(20)9-5-4-8(14(15,16)17)6-10(9)24(3,22)23/h4-6,21H,1-3H3
InChIKeyDWSPRBSLSXQIEJ-UHFFFAOYSA-N
Roles Classification
Biological Roles:
EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor  An EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 atoms of oxygen) inhibitor that interferes with the activity of 4-hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27).
carotenoid biosynthesis inhibitor  Any pathway inhibitor that acts on the carotenoid biosynthesis pathway.
Applications:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
pyrasulfotole (CHEBI:141518) has role agrochemical (CHEBI:33286)
pyrasulfotole (CHEBI:141518) has role carotenoid biosynthesis inhibitor (CHEBI:138208)
pyrasulfotole (CHEBI:141518) has role EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor (CHEBI:38317)
pyrasulfotole (CHEBI:141518) has role herbicide (CHEBI:24527)
pyrasulfotole (CHEBI:141518) is a (trifluoromethyl)benzenes (CHEBI:83565)
pyrasulfotole (CHEBI:141518) is a aromatic ketone (CHEBI:76224)
pyrasulfotole (CHEBI:141518) is a pyrazole pesticide (CHEBI:38601)
pyrasulfotole (CHEBI:141518) is a sulfone (CHEBI:35850)
IUPAC Name 
(5-hydroxy-1,3-dimethyl-1H-pyrazol-4-yl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone
Synonyms  Source
(5-hydroxy-1,3-dimethyl-1H-pyrazol-4-yl)(α,α,α-trifluoro-2-mesyl-p-tolyl)methanoneAlan Wood's Pesticides
(5-hydroxy-1,3-dimethyl-1H-pyrazol-4-yl)[2-(methanesulfonyl)-4-(trifluoromethyl)phenyl]methanoneAlan Wood's Pesticides
2,5-dimethyl-4-(2-methylsulfonyl-4-(trifluoromethyl)benzoyl)-1H-pyrazol-3-oneChemIDplus
Manual XrefsDatabases
pyrasulfotoleAlan Wood's Pesticides
Registry NumbersSources
CAS:365400-11-9Alan Wood's Pesticides
CAS:365400-11-9ChemIDplus
Citations