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CHEBI:228579 - 2-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)benzonitrile

ChEBI IDCHEBI:228579
ChEBI Name2-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)benzonitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H10ClN3
Net Charge0
Average Mass231.686
Monoisotopic Mass231.05632
SMILESCc1cc(C)n(-c2cccc(Cl)c2C#N)n1
InChIInChI=1S/C12H10ClN3/c1-8-6-9(2)16(15-8)12-5-3-4-11(13)10(12)7-14/h3-6H,1-2H3
InChIKeyVJMPPNLTGVFTQO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
2-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)benzonitrile (CHEBI:228579) is a pyrazoles (CHEBI:26410)
2-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)benzonitrile (CHEBI:228579) is a ring assembly (CHEBI:36820)
IUPAC Name 
2-chloro-6-(3,5-dimethylpyrazol-1-yl)benzonitrile
Manual XrefsDatabases
2082924ChemSpider