EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:228496 - 4-methoxyphenyl 3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxylate

ChEBI IDCHEBI:228496
ChEBI Name4-methoxyphenyl 3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H18N2O3
Net Charge0
Average Mass322.364
Monoisotopic Mass322.13174
SMILESCOc1ccc(OC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C19H18N2O3/c1-13-18(14(2)21(20-13)15-7-5-4-6-8-15)19(22)24-17-11-9-16(23-3)10-12-17/h4-12H,1-3H3
InChIKeyLRCWCALFUMBXBE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
4-methoxyphenyl 3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxylate (CHEBI:228496) is a pyrazoles (CHEBI:26410)
4-methoxyphenyl 3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxylate (CHEBI:228496) is a ring assembly (CHEBI:36820)
IUPAC Name 
(4-methoxyphenyl) 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
Manual XrefsDatabases
2022253ChemSpider