Structure Info
- Chemspace ID
- CSMB00003686705 (Enamine MADE)
- MFCD
- MFCD21590505
- IUPAC Name
- [3-(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)-1-cyclopropylpropyl](methyl)amine
- Mol formula
- C13H22ClN3
- Mol weight
- 256 Da
- Catalog Number(s)
- BBV-40769222, CSC003686705, FCH15539192
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.73
- Heavy atoms count
- 17
- Rotatable bond count
- 6
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.76923076923077
- Polar surface area (Å)
- 30
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00003686705
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