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-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide

N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide bmse012141 - Data

N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide synonyms

Wikipedia:

Graphical representations:

N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide

View large 3D structure

Molecular Formula: C12H15N3O2

Natural Isotopic Abundance Mass: 233.26639999999998

Mono-Isotopic Molecular Masses:

  • C12N14: 233.116426735
  • C13N14: 245.15668479100006
  • C12N15: 236.10753141400002
  • C13N15: 248.14778947000008

InChI string: InChI=1S/C12H15N3O2/c1-8(10-7-13-15(3)9(10)2)14-12(16)11-5-4-6-17-11/h4-8H,1-3H3,(H,14,16)/t8-/m1/s1

EU-OPENSCREEN: EOS102867

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)