N-(cyclobutylmethyl)-1,5-dimethylpyrazole-4-carboxamide

N-(cyclobutylmethyl)-1,5-dimethylpyrazole-4-carboxamide bmse011248 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C11H17N3O

Natural Isotopic Abundance Mass: 207.27217999999985

Mono-Isotopic Molecular Masses:

  • C12N14: 207.137162179
  • C13N14: 218.17406539700005
  • C12N15: 210.12826685800002
  • C13N15: 221.16517007600007

InChI string: InChI=1S/C11H17N3O/c1-8-10(7-13-14(8)2)11(15)12-6-9-4-3-5-9/h7,9H,3-6H2,1-2H3,(H,12,15)

wwPDB CCD: HR5

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)