1-methyl-3-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride

1-methyl-3-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride bmse011119 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

View large 3D structure

Molecular Formula: C10H17ClN4O

Natural Isotopic Abundance Mass: 244.72117999999983

Mono-Isotopic Molecular Masses:

  • C12N14: 244.109088864
  • C13N14: 254.14263724400004
  • C12N15: 248.09722843600002
  • C13N15: 258.1307768160001

InChI string: InChI=1S/C10H16N4O.ClH/c1-14-6-8(10(11)15)9(13-14)7-3-2-4-12-5-7;/h6-7,12H,2-5H2,1H3,(H2,11,15);1H/t7-;/m0./s1

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)