2-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide

2-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide bmse011683 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C10H11N3OS

Natural Isotopic Abundance Mass: 221.2788399999999

Mono-Isotopic Molecular Masses:

  • C12N14: 221.062282987
  • C13N14: 231.09583136700005
  • C12N15: 224.05338766600002
  • C13N15: 234.08693604600006

InChI string: InChI=1S/C10H11N3OS/c1-13-9(4-5-12-13)10(14)11-7-8-3-2-6-15-8/h2-6H,7H2,1H3,(H,11,14)

IUPAC: 2-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide

wwPDB CCD: JO1

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)