EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:121000 - 2-(3,4-dimethoxyphenyl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone

ChEBI IDCHEBI:121000
ChEBI Name2-(3,4-dimethoxyphenyl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
Stars
DownloadsMolfile
FormulaC15H17F3N2O4
Net Charge0
Average Mass346.305
Monoisotopic Mass346.11404
SMILESCOc1ccc(CC(=O)N2N=C(C)CC2(O)C(F)(F)F)cc1OC
InChIInChI=1S/C15H17F3N2O4/c1-9-8-14(22,15(16,17)18)20(19-9)13(21)7-10-4-5-11(23-2)12(6-10)24-3/h4-6,22H,7-8H2,1-3H3
InChIKeyLHCQUUAAJJVPSX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(3,4-dimethoxyphenyl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone (CHEBI:121000) is a dimethoxybenzene (CHEBI:51681)
Manual XrefsDatabases
LSM-32443LINCS