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CHEBI:111195 - [4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

ChEBI IDCHEBI:111195
ChEBI Name[4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
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DownloadsMolfile
FormulaC18H18BrF3N4O2
Net Charge0
Average Mass459.266
Monoisotopic Mass458.05652
SMILESCC1=NN(C(=O)c2ccc(Cn3nc(C)c(Br)c3C)cc2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C18H18BrF3N4O2/c1-10-8-17(28,18(20,21)22)26(23-10)16(27)14-6-4-13(5-7-14)9-25-12(3)15(19)11(2)24-25/h4-7,28H,8-9H2,1-3H3
InChIKeyMUDROFVVGAGUDR-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)
[4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (CHEBI:111195) is a benzoic acids (CHEBI:22723)
Manual XrefsDatabases
LSM-22651LINCS