Structure Info
- Chemspace ID
- CSMB00012283916 (Enamine MADE)
- MFCD
- MFCD20724336
- IUPAC Name
- 5-amino-1-butyl-3-methyl-1H-pyrazole-4-carbonitrile
- Mol formula
- C9H14N4
- Mol weight
- 178 Da
- Catalog Number(s)
- BBV-40012956, CSC012283916, CSCR00000243178, FCH1306950, PV-002865879663, s_34____6894194____10978696
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.97
- Heavy atoms count
- 13
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.555
- Polar surface area (Å)
- 68
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00012283916
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