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-(5-phenyl-1H-pyrazol-4-yl)propanamide

N-(5-phenyl-1H-pyrazol-4-yl)propanamide bmse011780 - Data

N-(5-phenyl-1H-pyrazol-4-yl)propanamide synonyms

Wikipedia:

Graphical representations:

N-(5-phenyl-1H-pyrazol-4-yl)propanamide

View large 3D structure

Molecular Formula: C12H13N3O

Natural Isotopic Abundance Mass: 215.25111999999996

Mono-Isotopic Molecular Masses:

  • C12N14: 215.105862051
  • C13N14: 227.14612010700006
  • C12N15: 218.09696673000002
  • C13N15: 230.13722478600008

InChI string: InChI=1S/C12H13N3O/c1-2-11(16)14-10-8-13-15-12(10)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,15)(H,14,16)

EU-OPENSCREEN: EOS102478

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)