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CHEBI:8657 - pyrazolynate

Default Structure
ChEBI IDCHEBI:8657
ChEBI Namepyrazolynate
Stars
DefinitionA member of the class of pyrazoles that is 1,3-dimethylpyrazole which is substituted at positions 4 and 5 by 2,4-dichlorobenzoyl and p-tosyloxy groups, respectively. It is an obsolete proherbicide (via hydrolysis of the tosylate group to afford the corresponding 5-hydroxypyrazole), that was used to control weeds in rice paddy fields.
Last Modified16 August 2017
DownloadsMolfile
FormulaC19H16Cl2N2O4S
Net Charge0
Average Mass439.320
Monoisotopic Mass438.02078
SMILESCc1ccc(S(=O)(=O)Oc2c(C(=O)c3ccc(Cl)cc3Cl)c(C)nn2C)cc1
InChIInChI=1S/C19H16Cl2N2O4S/c1-11-4-7-14(8-5-11)28(25,26)27-19-17(12(2)22-23(19)3)18(24)15-9-6-13(20)10-16(15)21/h4-10H,1-3H3
InChIKeyASRAWSBMDXVNLX-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:
proherbicide  A compound that, on administration, must undergo chemical conversion by biochemical (enzymatic), chemical (possibly following an enzymatic step), or physical (e.g. photochemical) activation processes before becoming the pharmacologically active herbicide for which it is a proherbicide.
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
ChEBI Ontology
Outgoing Relation(s)
pyrazolynate (CHEBI:8657) has role agrochemical (CHEBI:33286)
pyrazolynate (CHEBI:8657) has role carotenoid biosynthesis inhibitor (CHEBI:138208)
pyrazolynate (CHEBI:8657) has role EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor (CHEBI:38317)
pyrazolynate (CHEBI:8657) has role proherbicide (CHEBI:136646)
pyrazolynate (CHEBI:8657) is a aromatic ketone (CHEBI:76224)
pyrazolynate (CHEBI:8657) is a dichlorobenzene (CHEBI:23697)
pyrazolynate (CHEBI:8657) is a pyrazoles (CHEBI:26410)
pyrazolynate (CHEBI:8657) is a tosylate ester (CHEBI:83351)
IUPAC Name 
4-(2,4-dichlorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl 4-methylbenzenesulfonate
Synonyms  Source
(2,4-dichlorophenyl)[1,3-dimethyl-5-[[(4-methylphenyl)sulfonyl]oxy]-1H-pyrazol-4-yl]methanoneAlan Wood's Pesticides
4-(2,4-dichlorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl 4-methylbenzene-1-sulfonateAlan Wood's Pesticides
4-(2,4-Dichlorobenzoyl)-1,3-dimethyl-5-pyrazolyl p-toluenesulfonateKEGG COMPOUND
4-(2,4-dichlorobenzoyl)-1,3-dimethylpyrazol-5-yl toluene-4-sulfonateAlan Wood's Pesticides
pyrazolateAlan Wood's Pesticides
Manual XrefsDatabases
2766PPDB
C11123KEGG COMPOUND
pyrazolynateAlan Wood's Pesticides
Registry NumbersSources
Reaxys:860937Reaxys
CAS:58011-68-0KEGG COMPOUND
CAS:58011-68-0ChemIDplus
CAS:58011-68-0Alan Wood's Pesticides
Citations