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CHEBI:228225 - isoflucypram

Default Structure
ChEBI IDCHEBI:228225
ChEBI Nameisoflucypram
Stars
DefinitionA tertiary carboxamide resulting from the formal condensation of the carboxy group of 3-(difluoromethyl)-5-fluoro-1-methyl-1H-pyrazole-4-carboxylic acid with the amino group of N-[5-chloro-2-(propan-2-yl)benzyl]cyclopropanamine. It is a broad spectrum fungicide developed by Bayer that exhibits high efficacy against the major fungal diseases of cereal crops (wheat, triticale, rye, barley and oats).
Last Modified15 November 2023
SubmitterAdnan
DownloadsMolfile
FormulaC19H21ClF3N3O
Net Charge0
Average Mass399.844
Monoisotopic Mass399.13252
SMILESCC(C)c1ccc(Cl)cc1CN(C(=O)c1c(C(F)F)nn(C)c1F)C1CC1
InChIInChI=1S/C19H21ClF3N3O/c1-10(2)14-7-4-12(20)8-11(14)9-26(13-5-6-13)19(27)15-16(17(21)22)24-25(3)18(15)23/h4,7-8,10,13,17H,5-6,9H2,1-3H3
InChIKeyJEFUQUGZXLEHLD-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor  An EC 1.3.5.* (oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor) inhibitor that interferes with the action of succinate dehydrogenase (quinone), EC 1.3.5.1.
Applications:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
ChEBI Ontology
Outgoing Relation(s)
isoflucypram (CHEBI:228225) has role antifungal agrochemical (CHEBI:86328)
isoflucypram (CHEBI:228225) has role EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor (CHEBI:83072)
isoflucypram (CHEBI:228225) is a alkylbenzene (CHEBI:38976)
isoflucypram (CHEBI:228225) is a cyclopropanes (CHEBI:51454)
isoflucypram (CHEBI:228225) is a monochlorobenzenes (CHEBI:83403)
isoflucypram (CHEBI:228225) is a organofluorine pesticide (CHEBI:38805)
isoflucypram (CHEBI:228225) is a pyrazoles (CHEBI:26410)
isoflucypram (CHEBI:228225) is a tertiary amino compound (CHEBI:50996)
isoflucypram (CHEBI:228225) is a tertiary carboxamide (CHEBI:140326)
IUPAC Name 
N-[5-chloro-2-(propan-2-yl)benzyl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-1H-pyrazole-4-carboxamide
Synonyms  Source
BCS-CN88460PPDB
N-[[5-chloro-2-(1-methylethyl)phenyl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-1H-pyrazole-4-carboxamideAlan Wood's Pesticides
N-(5-chloro-2-isopropylbenzyl)-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-1H-pyrazole-4-carboxamideAlan Wood's Pesticides
N-{[5-chloro-2-(propan-2-yl)phenyl]methyl}-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-1H-pyrazole-4-carboxamideAlan Wood's Pesticides
Brand Names  Source
IblonChEBI
VimoyChEBI
Manual XrefsDatabases
3180PPDB
isoflucypramAlan Wood's Pesticides
Registry NumbersSources
Reaxys:20846319Reaxys
CAS:1255734-28-1Alan Wood's Pesticides
Citations