Structure Info
- Chemspace ID
- CSMB00025789207 (Enamine MADE)
- CAS
- 2137985-47-6
- MFCD
- MFCD30735180
- IUPAC Name
- tert-butyl 4-{5-[(chloromethoxy)carbonyl]-1-methyl-1H-pyrazol-3-yl}piperidine-1-carboxylate
- Mol formula
- C16H24ClN3O4
- Mol weight
- 358 Da
- Catalog Number(s)
- BBV-118326855, CSC025789207, EN300-387145
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.46
- Heavy atoms count
- 24
- Rotatable bond count
- 6
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.687
- Polar surface area (Å)
- 74
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00025789207
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