Structure Info
- Chemspace ID
- CSMB02516855436 (Enamine MADE)
- IUPAC Name
- 1-(cyanomethyl)-3-methoxy-1H-pyrazole-4-carboxylic acid
- Mol formula
- C7H7N3O3
- Mol weight
- 181 Da
- Catalog Number(s)
- BBV-322540569
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.03
- Heavy atoms count
- 13
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.285
- Polar surface area (Å)
- 88
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB02516855436
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