Structure Info
- Chemspace ID
- CSMB00021365529 (Enamine MADE)
- MFCD
- MFCD29917008
- IUPAC Name
- 4-bromo-3-(hydroxymethyl)-1-methyl-1H-pyrazole-5-carbonitrile
- Mol formula
- C6H6BrN3O
- Mol weight
- 216 Da
- Catalog Number(s)
- A049004375, AA01DJZG, AG01DK28, AG183061, AOS01DK28, AR01DKR8, AS-70474, ArZ-UP153517, BBV-103755021, BD336548, CD11253685, CSC021365529, D762874, EIC84883, F530103, FCH7439925, HFC11841, LN01746805, SAB-087911, W11878, W11878-0.1G, W11878-0.25G, ZXC122640
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.26
- Heavy atoms count
- 11
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.333
- Polar surface area (Å)
- 62
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00021365529
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