Structure Info
- Chemspace ID
- CSMB00013431334 (Enamine MADE)
- MFCD
- MFCD27733293
- IUPAC Name
- 5-[(but-2-yn-1-yl)amino]-1,3-dimethyl-1H-pyrazole-4-carbonitrile
- Mol formula
- C10H12N4
- Mol weight
- 188 Da
- Catalog Number(s)
- BBV-51200571, CSC013431334, IMED1702979777
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.02
- Heavy atoms count
- 14
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.4
- Polar surface area (Å)
- 54
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00013431334
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