4,4-dibromo-3-propyl-1H-pyrazol-5-one
Basic information
- CAS
13048-86-7- Standard SMILES
CCCC1=NNC(=O)C1(Br)Br- InChIKey
SJJHSADSTRZEQH-UHFFFAOYSA-N- Molecular formula
- C6H8Br2N2O
- Average molar mass
- 283.95 g/mol
- Monoisotopic mass
- 281.90034
Names & identifiers
- Preferred name
- 4,4-dibromo-3-propyl-1H-pyrazol-5-one
- IUPAC
- 4,4-dibromo-3-propyl-1H-pyrazol-5-one
Names & synonyms
13048-86-74,4-dibromo-3-propyl-1H-pyrazol-5-oneNSC1099004,4-dibromo-5-propyl-2,4-dihydro-3h-pyrazol-3-one3H-Pyrazol-3-one,4,4-dibromo-2,4-dihydro-5-propyl-DTXSID70296554NSC-109900DS-014230
Database identifiers
- CAS
13048-86-7- PubChem CID
- 269247
- DTXSID
DTXSID70296554
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 213
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Compound notes
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