5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide

5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide bmse011627 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C12H15N3OS

Natural Isotopic Abundance Mass: 249.33199999999985

Mono-Isotopic Molecular Masses:

  • C12N14: 249.093583115
  • C13N14: 261.1338411710002
  • C12N15: 252.08468779400002
  • C13N15: 264.1249458500003

InChI string: InChI=1S/C12H15N3OS/c1-3-10-4-5-11(17-10)12(16)13-6-9-7-14-15(2)8-9/h4-5,7-8H,3,6H2,1-2H3,(H,13,16)

IUPAC: 5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide

wwPDB CCD: B0Y

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)