BMRB

Biological Magnetic Resonance Data Bank


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

1-(1-ethylpyrazol-4-yl)-3-propan-2-ylurea

1-(1-ethylpyrazol-4-yl)-3-propan-2-ylurea bmse012272 - Data

1-(1-ethylpyrazol-4-yl)-3-propan-2-ylurea synonyms

Wikipedia:

Graphical representations:

1-(1-ethylpyrazol-4-yl)-3-propan-2-ylurea

View large 3D structure

Molecular Formula: C9H16N4O

Natural Isotopic Abundance Mass: 196.24954

Mono-Isotopic Molecular Masses:

  • C12N14: 196.132411152
  • C13N14: 205.16260469400004
  • C12N15: 200.12055072400003
  • C13N15: 209.15074426600006

InChI string: InChI=1S/C9H16N4O/c1-4-13-6-8(5-10-13)12-9(14)11-7(2)3/h5-7H,4H2,1-3H3,(H2,11,12,14)

EU-OPENSCREEN: EOS103012

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)