N-[(1-ethylpyrazol-4-yl)methyl]pyridine-3-carboxamide

N-[(1-ethylpyrazol-4-yl)methyl]pyridine-3-carboxamide bmse011626 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C12H14N4O

Natural Isotopic Abundance Mass: 230.26575999999986

Mono-Isotopic Molecular Masses:

  • C12N14: 230.116761088
  • C13N14: 242.15701914400006
  • C12N15: 234.10490066000003
  • C13N15: 246.14515871600008

InChI string: InChI=1S/C12H14N4O/c1-2-16-9-10(7-15-16)6-14-12(17)11-4-3-5-13-8-11/h3-5,7-9H,2,6H2,1H3,(H,14,17)

wwPDB CCD: K0P

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)