EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:73970 - 2-[3-ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol

ChEBI IDCHEBI:73970
ChEBI Name2-[3-ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol
Stars
ASCII Name2-[3-ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol
DefinitionA pyrazole that is 1H-pyrazole bearing an ethyl group at position 3, a 2-hydroxyphenyl group at position 2, and a 4-methoxyphenyl group at position 5.
Last Modified28 July 2014
Submittermwilliams
DownloadsMolfile
FormulaC18H18N2O2
Net Charge0
Average Mass294.354
Monoisotopic Mass294.13683
SMILESCCc1nnc(-c2ccc(OC)cc2)c1-c1ccccc1O
InChIInChI=1S/C18H18N2O2/c1-3-15-17(14-6-4-5-7-16(14)21)18(20-19-15)12-8-10-13(22-2)11-9-12/h4-11,21H,3H2,1-2H3,(H,19,20)
InChIKeyODGRMKHYFIFZML-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
2-[3-ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol (CHEBI:73970) has role metabolite (CHEBI:25212)
2-[3-ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol (CHEBI:73970) is a monomethoxybenzene (CHEBI:25235)
2-[3-ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol (CHEBI:73970) is a phenols (CHEBI:33853)
2-[3-ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol (CHEBI:73970) is a pyrazoles (CHEBI:26410)
IUPAC Name 
2-[3-ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol
Manual XrefsDatabases
C15193KEGG COMPOUND
Registry NumbersSources
Reaxys:622050Reaxys
CAS:1038-81-9ChemIDplus
CAS:1038-81-9KEGG COMPOUND