4-chloro-N-cyclopentyl-1-methylpyrazole-3-carboxamide

4-chloro-N-cyclopentyl-1-methylpyrazole-3-carboxamide bmse011686 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C10H14ClN3O

Natural Isotopic Abundance Mass: 227.69065999999987

Mono-Isotopic Molecular Masses:

  • C12N14: 227.082539763
  • C13N14: 237.11608814300004
  • C12N15: 230.07364444200002
  • C13N15: 240.10719282200006

InChI string: InChI=1S/C10H14ClN3O/c1-14-6-8(11)9(13-14)10(15)12-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,12,15)

IUPAC: 4-chloro-N-cyclopentyl-1-methylpyrazole-3-carboxamide

wwPDB CCD: JHP

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)