N-(5-methyl-1H-pyrazol-3-yl)acetamide

N-(5-methyl-1H-pyrazol-3-yl)acetamide bmse011171 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C6H9N3O

Natural Isotopic Abundance Mass: 139.1551599999999

Mono-Isotopic Molecular Masses:

  • C12N14: 139.074561923
  • C13N14: 145.09469095100002
  • C12N15: 142.06566660200002
  • C13N15: 148.08579563000004

InChI string: InChI=1S/C6H9N3O/c1-4-3-6(9-8-4)7-5(2)10/h3H,1-2H3,(H2,7,8,9,10)

wwPDB CCD: K3A

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)