EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:116267 - 4-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-1,5-dimethyl-2-phenyl-3-pyrazolone

ChEBI IDCHEBI:116267
ChEBI Name4-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-1,5-dimethyl-2-phenyl-3-pyrazolone
Stars
DownloadsMolfile
FormulaC18H17Cl2N3O2
Net Charge0
Average Mass378.259
Monoisotopic Mass377.06978
SMILESCc1c(NCc2cc(Cl)cc(Cl)c2O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H17Cl2N3O2/c1-11-16(21-10-12-8-13(19)9-15(20)17(12)24)18(25)23(22(11)2)14-6-4-3-5-7-14/h3-9,21,24H,10H2,1-2H3
InChIKeyWZSRQXOFFNGVLZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-1,5-dimethyl-2-phenyl-3-pyrazolone (CHEBI:116267) is a pyrazoles (CHEBI:26410)
4-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-1,5-dimethyl-2-phenyl-3-pyrazolone (CHEBI:116267) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-27722LINCS