isoflucypram (CHEBI:228225)

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ChEBI Name	isoflucypram

ChEBI ID	CHEBI:228225

Definition	A 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).

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

Supplier Information

Download	Molfile XML SDF

Formula

C19H21ClF3N3O

Net Charge

Average Mass

399.840

Monoisotopic Mass

399.13252

InChI

InChI=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

InChIKey

JEFUQUGZXLEHLD-UHFFFAOYSA-N

SMILES

CC(C)C1=C(CN(C2CC2)C(=O)C2=C(F)N(C)N=C2C(F)F)C=C(Cl)C=C1

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	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. antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.

Application(s):	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. (via organofluorine pesticide )

ChEBI Ontology
Outgoing	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	Sources
BCS-CN88460	PPDB
N-(5-chloro-2-isopropylbenzyl)-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-1H-pyrazole-4-carboxamide	Alan Wood's Pesticides
N-[[5-chloro-2-(1-methylethyl)phenyl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-1H-pyrazole-4-carboxamide	Alan Wood's Pesticides
N-{[5-chloro-2-(propan-2-yl)phenyl]methyl}-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-1H-pyrazole-4-carboxamide	Alan Wood's Pesticides

Last Modified

15 November 2023