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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4-methoxyphenyl 3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxylate
ChEBI ID CHEBI:228496
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H18N2O3
Net Charge 0
Average Mass 322.364
Monoisotopic Mass 322.13174
InChI InChI=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
InChIKey LRCWCALFUMBXBE-UHFFFAOYSA-N
SMILES O(C(=O)C1=C(N(N=C1C)C2=CC=CC=C2)C)C3=CC=C(OC)C=C3
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
2022253 ChemSpider
View more database links