Structure Info
- Chemspace ID
- CSMB00102668678 (Enamine MADE)
- CAS
- 2137687-03-5
- MFCD
- MFCD31458812
- IUPAC Name
- 3-methoxy-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
- Mol formula
- C8H12N2O3
- Mol weight
- 184 Da
- Catalog Number(s)
- BBV-113841619, CSC102668678, EN300-765689, FCH13573505
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.27
- Heavy atoms count
- 13
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.5
- Polar surface area (Å)
- 64
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00102668678
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