Basic information
- Standard SMILES
CCn1nc(C#N)cc1CCCCCl- InChIKey
LSCQHOBOLZZMAU-UHFFFAOYSA-N- Molecular formula
- C10H14ClN3
- Average molar mass
- 211.69 g/mol
Names & identifiers
- Preferred name
- 5-(4-chlorobutyl)-1-ethyl-1H-pyrazole-3-carbonitrile
- IUPAC
- 5-(4-chlorobutyl)-1-ethylpyrazole-3-carbonitrile
Names & synonyms
SCHEMBL1234226LSCQHOBOLZZMAU-UHFFFAOYSA-N5-(4-chlorobutyl)-1-ethyl-1H-pyrazole-3-carbonitrile
Database identifiers
- PubChem CID
- 66958967
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 211
Related reactions
6 records
Compound notes
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