Structure Info
- Chemspace ID
- CSMB00160574015 (Enamine MADE)
- CAS
- 2408969-24-2
- IUPAC Name
- methyl 5-{[(tert-butoxy)carbonyl]amino}-3-(2-hydroxyethoxy)-1-methyl-1H-pyrazole-4-carboxylate
- Mol formula
- C13H21N3O6
- Mol weight
- 315 Da
- Catalog Number(s)
- BBV-240162518, CSC160574015, EN300-7548635
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.15
- Heavy atoms count
- 22
- Rotatable bond count
- 8
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.615
- Polar surface area (Å)
- 112
- Hydrogen bond acceptors count
- 6
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB00160574015
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