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CHEBI:194721 - 4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzonitrile

ChEBI IDCHEBI:194721
ChEBI Name4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzonitrile
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H11N3
Net Charge0
Average Mass197.241
Monoisotopic Mass197.09530
SMILESCc1cc(C)n(-c2ccc(C#N)cc2)n1
InChIInChI=1S/C12H11N3/c1-9-7-10(2)15(14-9)12-5-3-11(8-13)4-6-12/h3-7H,1-2H3
InChIKeyBTXLPDNFEZIQBZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzonitrile (CHEBI:194721) is a pyrazoles (CHEBI:26410)
4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzonitrile (CHEBI:194721) is a ring assembly (CHEBI:36820)
IUPAC Name 
4-(3,5-dimethylpyrazol-1-yl)benzonitrile
Manual XrefsDatabases
21473115ChemSpider