BMRB

Biological Magnetic Resonance Data Bank


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

2-(5-amino-3-phenylpyrazol-1-yl)ethanol

2-(5-amino-3-phenylpyrazol-1-yl)ethanol bmse012369 - Data

2-(5-amino-3-phenylpyrazol-1-yl)ethanol synonyms

Wikipedia:

Graphical representations:

2-(5-amino-3-phenylpyrazol-1-yl)ethanol

View large 3D structure

Molecular Formula: C11H13N3O

Natural Isotopic Abundance Mass: 203.24041999999997

Mono-Isotopic Molecular Masses:

  • C12N14: 203.105862051
  • C13N14: 214.14276526900005
  • C12N15: 206.09696673000002
  • C13N15: 217.13386994800007

InChI string: InChI=1S/C11H13N3O/c12-11-8-10(13-14(11)6-7-15)9-4-2-1-3-5-9/h1-5,8,15H,6-7,12H2

IUPAC: b'2-(5-amino-3-phenylpyrazol-1-yl)ethanol'

EU-OPENSCREEN: EOS103118

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)