3,5-Dimethyl-1,2-dioxo-4H-1lambda~5~,2lambda~5~-pyrazol-4-one
Basic information
- CAS
17952-97-5- Standard SMILES
CC1=[N+]([O-])[N+]([O-])=C(C)C1=O- InChIKey
OCHDUCZHIXXEOJ-UHFFFAOYSA-N- Molecular formula
- C5H6N2O3
- Average molar mass
- 142.11 g/mol
- Monoisotopic mass
- 142.03784206
Names & identifiers
- Preferred name
- 3,5-Dimethyl-1,2-dioxo-4H-1lambda~5~,2lambda~5~-pyrazol-4-one
- IUPAC
- 3,5-dimethyl-1,2-dioxidopyrazole-1,2-diium-4-one
Names & synonyms
17952-97-5DTXSID403110263,5-Dimethyl-1,2-dioxo-4H-1lambda~5~,2lambda~5~-pyrazol-4-oneRefChem:271857DTXCID10262152NSC236243NSC-2362434-oxo-3,5-dimethyl-4h-pyrazole 1,2-dioxide
Database identifiers
- CAS
17952-97-5- PubChem CID
- 314945
- DTXSID
DTXSID40311026- Nikkaji
- J885.626E
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 238
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…