3,5-Pyrazolidinedione, 1,2-diphenyl-4-propyl-
Basic information
- CAS
6082-56-0- Standard SMILES
CCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O- InChIKey
FFVLWIPQVZKVDU-UHFFFAOYSA-N- Molecular formula
- C18H18N2O2
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.13682782
Names & identifiers
- Preferred name
- 3,5-Pyrazolidinedione, 1,2-diphenyl-4-propyl-
- IUPAC
- 1,2-diphenyl-4-propylpyrazolidine-3,5-dione
- English name
- 1,2-Diphenyl-4-propyl-3,5-pyrazolidinedione
- Molecular formula
- C18H18N2O2
- Molecular weight
- 294.35
Names & synonyms
1,2-Diphenyl-4-propyl-3,5-pyrazolidinedioneDA-2316082-56-03,5-Pyrazolidinedione, 1,2-diphenyl-4-propyl-BRN 0278629G 13838P.M. 2311,2-Difenil-3,5-dicheto-4-propil-pirazolidina [Italian]DTXSID502096621,2-Difenil-3,5-dicheto-4-propil-pirazolidina5-24-05-00386 (Beilstein Handbook Reference)RefChem:272062
Show more names
PM-231P.M.231G-13838Phenelzine Impurity 13
DTXCID001321531,2-diphenyl-4-propylpyrazolidine-3,5-dioneSCHEMBL23295125
Database identifiers
- CAS
6082-56-0- PubChem CID
- 201492
- DTXSID
DTXSID50209662- Nikkaji
- J53.898A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Toxicity
- 50 oral · LD50 oral in rat: 529mg/kg
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
- Toxicity
- LD50 oral in rat: 529mg/kg
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Related reactions
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Compound notes
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