EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:188726 - [2-(3-Fluorophenyl)-5-propyl-pyrazol-3-yl] 2-phenylbutanoate

ChEBI IDCHEBI:188726
ChEBI Name[2-(3-Fluorophenyl)-5-propyl-pyrazol-3-yl] 2-phenylbutanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H23FN2O2
Net Charge0
Average Mass366.436
Monoisotopic Mass366.17436
SMILESCCCc1cc(OC(=O)C(CC)c2ccccc2)n(-c2cccc(F)c2)n1
InChIInChI=1S/C22H23FN2O2/c1-3-9-18-15-21(25(24-18)19-13-8-12-17(23)14-19)27-22(26)20(4-2)16-10-6-5-7-11-16/h5-8,10-15,20H,3-4,9H2,1-2H3
InChIKeyNIIVPNPTGFEDGU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
[2-(3-Fluorophenyl)-5-propyl-pyrazol-3-yl] 2-phenylbutanoate (CHEBI:188726) is a pyrazoles (CHEBI:26410)
[2-(3-Fluorophenyl)-5-propyl-pyrazol-3-yl] 2-phenylbutanoate (CHEBI:188726) is a ring assembly (CHEBI:36820)
IUPAC Name 
[2-(3-luorophenyl)-5-propylpyrazol-3-yl] 2-phenylbutanoate
Manual XrefsDatabases
10140065ChemSpider