Structure Info
- Chemspace ID
- CSCS00009976556 (Synthesis)
- MFCD
- MFCD03231673
- IUPAC Name
- methyl 5-amino-4-cyano-3-methyl-1H-pyrazole-1-carboxylate
- Mol formula
- C7H8N4O2
- Mol weight
- 180 Da
- Catalog Number(s)
- AG-826/13532006, BBV-40003850, CSC009976556, FCH1298121, LN01133050
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.11
- Heavy atoms count
- 13
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.28571428571429
- Polar surface area (Å)
- 94
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSCS00009976556
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