Structure Info
- Chemspace ID
- CSMB03552141772 (Enamine MADE)
- IUPAC Name
- 5-(2-cyanoethyl)-3-hydroxy-1-methyl-1H-pyrazole-4-carboxylic acid
- Mol formula
- C8H9N3O3
- Mol weight
- 195 Da
- Catalog Number(s)
- BBV-397202558
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.9
- Heavy atoms count
- 14
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.375
- Polar surface area (Å)
- 99
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB03552141772
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