CHEBI:111195 - [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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ChEBI Name [4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
ChEBI ID CHEBI:111195
Stars This entity has been manually annotated by a third party.
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Formula C18H18BrF3N4O2
Net Charge 0
Average Mass 459.261
Monoisotopic Mass 458.05652
InChI InChI=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
InChIKey MUDROFVVGAGUDR-UHFFFAOYSA-N
SMILES CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)Br)C
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 [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 Xref Database
LSM-22651 LINCS
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