4-Chloro-1-(1H-pyrazol-1-yl)butan-1-one
Basic information
- CAS
560090-41-7- Standard SMILES
O=C(CCCCl)n1cccn1- InChIKey
DOTMSILGKMWCDV-UHFFFAOYSA-N- Molecular formula
- C7H9ClN2O
- Average molar mass
- 172.61 g/mol
- Monoisotopic mass
- 172.0403406
Names & identifiers
- Preferred name
- 4-Chloro-1-(1H-pyrazol-1-yl)butan-1-one
- IUPAC
- 4-chloro-1-pyrazol-1-ylbutan-1-one
- English name
- 1H-Pyrazole,1-(4-chloro-1-oxobutyl)-(9CI)
- Molecular formula
- C7H9ClN2O
- Molecular weight
- 172.61
Names & synonyms
560090-41-74-Chloro-1-(1H-pyrazol-1-yl)butan-1-oneSCHEMBL27846833DTXSID001278068AKOS003881288DB-2679144-Chloro-1-(1H-pyrazol-1-yl)-1-butanone1H-PYRAZOLE, 1-(4-CHLORO-1-OXOBUTYL)-1-Butanone, 4-chloro-1-(1H-pyrazol-1-yl)-1H-Pyrazole,1-(4-chloro-1-oxobutyl)-(9CI)
Database identifiers
- CAS
560090-41-7- PubChem CID
- 4112151
- DTXSID
DTXSID001278068
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
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Related reactions
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Compound notes
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