Structure Info
- Chemspace ID
- CSMB00135391339 (Enamine MADE)
- CAS
- 2222511-91-1
- MFCD
- MFCD31653757
- IUPAC Name
- 4-bromo-5-methyl-1H-pyrazole-3-carbonitrile
- Mol formula
- C5H4BrN3
- Mol weight
- 186 Da
- Catalog Number(s)
- A730858, AA01JJBX, AZ91033, ArZ-UP118866, BBV-157031035, BD00857532, CB32313, CM362837, CSC135391339, EN300-7389742, FCH20142673, H41271, SS-6612, XND51191, Y1092023, ZX-AE058567
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.49
- Heavy atoms count
- 9
- Rotatable bond count
- 0
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.2
- Polar surface area (Å)
- 52
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00135391339
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