BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methanesulfonamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methanesulfonamide bmse012444 - Data

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methanesulfonamide synonyms

Wikipedia:

Graphical representations:

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methanesulfonamide

View large 3D structure

Molecular Formula: C12H15N3O3S

Natural Isotopic Abundance Mass: 281.33079999999995

Mono-Isotopic Molecular Masses:

  • C12N14: 281.083412355
  • C13N14: 293.12367041100003
  • C12N15: 284.074517034
  • C13N15: 296.1147750900001

InChI string: InChI=1S/C12H15N3O3S/c1-9-11(13-19(3,17)18)12(16)15(14(9)2)10-7-5-4-6-8-10/h4-8,13H,1-3H3

IUPAC: b'N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methanesulfonamide'

EU-OPENSCREEN: EOS103204

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)