5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazole-3-carboxamide (CHEBI:47273)

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ChEBI Name	5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazole-3-carboxamide

ChEBI ID	CHEBI:47273

ChEBI ASCII Name	5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazole-3-carboxamide

Definition	An aromatic amide obtained by formal condensation of the carboxy group of 5-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)pyrazole-3-carboxylic acid with the amino group of ethylamine.

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

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Formula

C19H18ClN3O4

Net Charge

Average Mass

387.818

Monoisotopic Mass

387.09858

InChI

InChI=1S/C19H18ClN3O4/c1-3-21-19(26)18-16(10-4-6-11(27-2)7-5-10)17(22-23-18)12-8-13(20)15(25)9-14(12)24/h4-9,24-25H,3H2,1-2H3,(H,21,26)(H,22,23)

InChIKey

HUNAOTXNHVALTN-UHFFFAOYSA-N

SMILES

N=1NC(=C(C1C(=O)NCC)C2=CC=C(C=C2)OC)C3=CC(=C(C=C3O)O)Cl

Roles Classification
Biological Role(s):	Hsp90 inhibitor An EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitor that blocks the action of heat shock protein 90.

ChEBI Ontology
Outgoing	5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazole-3-carboxamide (CHEBI:47273) has role Hsp90 inhibitor (CHEBI:63962) 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazole-3-carboxamide (CHEBI:47273) is a aromatic amide (CHEBI:62733) 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazole-3-carboxamide (CHEBI:47273) is a monochlorobenzenes (CHEBI:83403) 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazole-3-carboxamide (CHEBI:47273) is a monomethoxybenzene (CHEBI:25235) 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazole-3-carboxamide (CHEBI:47273) is a pyrazoles (CHEBI:26410) 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazole-3-carboxamide (CHEBI:47273) is a resorcinols (CHEBI:33572)

IUPAC Name

5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide

Registry Number	Type	Source
25647959	Reaxys Registry Number	Reaxys

Last Modified

14 July 2016