CHEBI:109715 - 1-benzoyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazole-3-carboxylic acid ethyl ester

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ChEBI Name 1-benzoyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazole-3-carboxylic acid ethyl ester
ChEBI ID CHEBI:109715
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H20N2O4
Net Charge 0
Average Mass 352.385
Monoisotopic Mass 352.14231
InChI InChI=1S/C20H20N2O4/c1-3-26-19(24)17-13-20(25,16-11-9-14(2)10-12-16)22(21-17)18(23)15-7-5-4-6-8-15/h4-12,25H,3,13H2,1-2H3
InChIKey ABQRHGHOVQWKHE-UHFFFAOYSA-N
SMILES CCOC(=O)C1=NN(C(C1)(C2=CC=C(C=C2)C)O)C(=O)C3=CC=CC=C3
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 1-benzoyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazole-3-carboxylic acid ethyl ester (CHEBI:109715) is a benzoic acids (CHEBI:22723)
Manual Xref Database
LSM-21143 LINCS
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