5-Phenylpyrazolidin-3-one
Basic information
- CAS
13047-12-6- Standard SMILES
O=C1CC(c2ccccc2)NN1- InChIKey
QSCDISPKCBTNDK-UHFFFAOYSA-N- Molecular formula
- C9H10N2O
- Average molar mass
- 162.19 g/mol
- Monoisotopic mass
- 162.07931295
Names & identifiers
- Preferred name
- 5-Phenylpyrazolidin-3-one
- IUPAC
- 5-phenylpyrazolidin-3-one
- English name
- 5-phenylpyrazolidin-3-one
- Molecular formula
- C9H10N2O
- Molecular weight
- 162.19
Names & synonyms
5-phenylpyrazolidin-3-one13047-12-63-Pyrazolidinone, 5-phenyl-DTXSID50296577RefChem:304702DTXCID40247715QSCDISPKCBTNDK-UHFFFAOYSA-NNSC1099555-phenylpyrazolin-3-oneMLS002206507SCHEMBL5179397CHEMBL1337206
Show more names
HMS2202N03HMS3350L14NAA04712AKOS024359382pyrazole, tetrahydro-3-oxo-5-phenyl-NSC-109955SMR001295323CS-0247350
Database identifiers
- CAS
13047-12-6- PubChem CID
- 269295
- DTXSID
DTXSID50296577- ChEMBL
CHEMBL1337206- Nikkaji
- J655.774K
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
1 records
Compound notes
Loading…