Structure Info
- Chemspace ID
- CSMB00025789501 (Enamine MADE)
- CAS
- 2137819-88-4
- MFCD
- MFCD30735328
- IUPAC Name
- chloromethyl 1-{1-[(tert-butoxy)carbonyl]pyrrolidin-3-yl}-3-methyl-1H-pyrazole-4-carboxylate
- Mol formula
- C15H22ClN3O4
- Mol weight
- 344 Da
- Catalog Number(s)
- BBV-110015187, CSC025789501, EN300-387293, FCH9173028
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.02
- Heavy atoms count
- 23
- Rotatable bond count
- 6
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.666
- Polar surface area (Å)
- 74
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00025789501
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