1-[(4-Chlorophenyl)methyl]pyrazolidin-3-one
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Basic information
- CAS
17826-71-0- Standard SMILES
O=C1CCN(Cc2ccc(Cl)cc2)N1- InChIKey
CWOLTMHYVIZTCW-UHFFFAOYSA-N- Molecular formula
- C10H11ClN2O
- Average molar mass
- 210.66 g/mol
- Monoisotopic mass
- 210.0559907
Names & identifiers
- Preferred name
- 1-[(4-Chlorophenyl)methyl]pyrazolidin-3-one
- IUPAC
- 1-[(4-chlorophenyl)methyl]pyrazolidin-3-one
- English name
- 1-(4-CHLOROBENZYL)TETRAHYDRO-3H-PYRAZOL-3-ONE
- Molecular formula
- C10H11ClN2O
- Molecular weight
- 210.66
Names & synonyms
1-[(4-chlorophenyl)methyl]pyrazolidin-3-one17826-71-01-(4-chlorobenzyl)tetrahydro-3H-pyrazol-3-oneMLS001165426CHEMBL2143217DTXSID801324269HMS2881B231-(4-Chlorobenzyl)pyrazolidin-3-oneAKOS005081795SMR0005493861B-0083-Pyrazolidinone, 1-[(4-chlorophenyl)methyl]-
Database identifiers
- CAS
17826-71-0- PubChem CID
- 1473556
- DTXSID
DTXSID801324269- ChEMBL
CHEMBL2143217
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 214
Experimental & physicochemical properties
Solubility6.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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