Structure Info
- Chemspace ID
- CSMB00009861284 (Enamine MADE)
- CAS
- 957129-62-3
- MFCD
- MFCD11934314, MFCD32063753
- IUPAC Name
- 5-(propan-2-yl)-1H-pyrazole-3-carbonitrile
- Mol formula
- C7H9N3
- Mol weight
- 135 Da
- Catalog Number(s)
- BBV-39745967, BBV-94896184, BD00978754, CSC009861284, CSC053400752, EN300-1293521, FCH1159061, FCH6010819
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.61
- Heavy atoms count
- 10
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.428
- Polar surface area (Å)
- 52
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00009861284
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