Structure Info
- Chemspace ID
- CSMB00137315535 (Enamine MADE)
- CAS
- 2287335-54-8
- IUPAC Name
- 5-{[(tert-butoxy)carbonyl]amino}-3-(2-hydroxyethoxy)-1-methyl-1H-pyrazole-4-carboxylic acid
- Mol formula
- C12H19N3O6
- Mol weight
- 301 Da
- Catalog Number(s)
- BBV-161709642, CSC137315535, EN300-6747567
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.81
- Heavy atoms count
- 21
- Rotatable bond count
- 7
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.583
- Polar surface area (Å)
- 123
- Hydrogen bond acceptors count
- 7
- Hydrogen bond donors count
- 3
- Zoom the structure
- CSMB00137315535
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