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CHEBI:228706 - N-(4-bromo-1-methyl-1H-pyrazol-5-yl)-2,2-dimethylpropanamide

ChEBI IDCHEBI:228706
ChEBI NameN-(4-bromo-1-methyl-1H-pyrazol-5-yl)-2,2-dimethylpropanamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H14BrN3O
Net Charge0
Average Mass260.135
Monoisotopic Mass259.03202
SMILESCn1ncc(Br)c1NC(=O)C(C)(C)C
InChIInChI=1S/C9H14BrN3O/c1-9(2,3)8(14)12-7-6(10)5-11-13(7)4/h5H,1-4H3,(H,12,14)
InChIKeyJPZOLCXLKKHBHT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
N-(4-bromo-1-methyl-1H-pyrazol-5-yl)-2,2-dimethylpropanamide (CHEBI:228706) is a aromatic amide (CHEBI:62733)
IUPAC Name 
N-(4-bromo-2-methylpyrazol-3-yl)-2,2-dimethylpropanamide
Manual XrefsDatabases
2087289ChemSpider