Basic information
- Standard SMILES
CCCCn1nc(C#N)c(Br)c1C- InChIKey
ZTDPBRBAVSELQJ-UHFFFAOYSA-N- Molecular formula
- C9H12BrN3
- Average molar mass
- 242.12 g/mol
Names & identifiers
- Preferred name
- 4-bromo-1-butyl-5-methyl-1H-pyrazole-3-carbonitrile
- IUPAC
- 4-bromo-1-butyl-5-methylpyrazole-3-carbonitrile
Names & synonyms
SCHEMBL1233497ZTDPBRBAVSELQJ-UHFFFAOYSA-N4-bromo-1-butyl-5-methyl-1H-pyrazole-3-carbonitrile
Database identifiers
- PubChem CID
- 66958622
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 210
Related reactions
7 records
Compound notes
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