EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:190602 - N-[4-cyano-1-(4-fluorophenyl)-1H-pyrazol-5-yl]cyclohexanecarboxamide

ChEBI IDCHEBI:190602
ChEBI NameN-[4-cyano-1-(4-fluorophenyl)-1H-pyrazol-5-yl]cyclohexanecarboxamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H17FN4O
Net Charge0
Average Mass312.348
Monoisotopic Mass312.13864
SMILESN#Cc1cnn(-c2ccc(F)cc2)c1NC(=O)C1CCCCC1
InChIInChI=1S/C17H17FN4O/c18-14-6-8-15(9-7-14)22-16(13(10-19)11-20-22)21-17(23)12-4-2-1-3-5-12/h6-9,11-12H,1-5H2,(H,21,23)
InChIKeyANABYZZCBBPAQV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) liver (BTO:0000759) MetaboLights (MTBLS4163)
ChEBI Ontology
Outgoing Relation(s)
N-[4-cyano-1-(4-fluorophenyl)-1H-pyrazol-5-yl]cyclohexanecarboxamide (CHEBI:190602) is a pyrazoles (CHEBI:26410)
N-[4-cyano-1-(4-fluorophenyl)-1H-pyrazol-5-yl]cyclohexanecarboxamide (CHEBI:190602) is a ring assembly (CHEBI:36820)
IUPAC Name 
N-[4-cyano-2-(4-luorophenyl)pyrazol-3-yl]cyclohexanecarboxamide
Manual XrefsDatabases
2088017ChemSpider