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CHEBI:114220 - [5-(4-bromophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone

ChEBI IDCHEBI:114220
ChEBI Name[5-(4-bromophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
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FormulaC21H16BrN3O2
Net Charge0
Average Mass422.282
Monoisotopic Mass421.04259
SMILESO=C(c1ccncc1)N1N=C(c2ccc(Br)cc2)CC1c1ccccc1O
InChIInChI=1S/C21H16BrN3O2/c22-16-7-5-14(6-8-16)18-13-19(17-3-1-2-4-20(17)26)25(24-18)21(27)15-9-11-23-12-10-15/h1-12,19,26H,13H2
InChIKeyMSZXBQPIAUHVDL-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
[5-(4-bromophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone (CHEBI:114220) is a aromatic carboxylic acid (CHEBI:33859)
[5-(4-bromophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone (CHEBI:114220) is a pyridinemonocarboxylic acid (CHEBI:26420)
Manual XrefsDatabases
LSM-25681LINCS