pyrasulfotole (CHEBI:141518)

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ChEBI Name	pyrasulfotole

ChEBI ID	CHEBI:141518

Definition	A pyrazole pesticide that is 1,3-dimethylpyrazol-5-ol in thich the hydrogen at position 4 has been replaced by a 2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl group.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.

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

Supplier Information

Download	Molfile XML SDF

Formula

C14H13F3N2O4S

Net Charge

Average Mass

362.326

Monoisotopic Mass

362.05481

InChI

InChI=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

InChIKey

DWSPRBSLSXQIEJ-UHFFFAOYSA-N

SMILES

C=1(N(N=C(C1C(C=2C=CC(=CC2S(C)(=O)=O)C(F)(F)F)=O)C)C)O

Roles Classification
Biological Role(s):	carotenoid biosynthesis inhibitor Any pathway inhibitor that acts on the carotenoid biosynthesis pathway. 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).

Application(s):	herbicide A substance used to destroy plant pests. agrochemical An agrochemical is a substance that is used in agriculture or horticulture.

ChEBI Ontology
Outgoing	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	Sources
(5-hydroxy-1,3-dimethyl-1H-pyrazol-4-yl)(α,α,α-trifluoro-2-mesyl-p-tolyl)methanone	Alan Wood's Pesticides
(5-hydroxy-1,3-dimethyl-1H-pyrazol-4-yl)[2-(methanesulfonyl)-4-(trifluoromethyl)phenyl]methanone	Alan Wood's Pesticides
2,5-dimethyl-4-(2-methylsulfonyl-4-(trifluoromethyl)benzoyl)-1H-pyrazol-3-one	ChemIDplus

Last Modified

29 July 2018