Basic information
- CAS
17826-82-3- Standard SMILES
CC1=NN(C)C(=O)C1C- InChIKey
CACWZFVIOGIBFP-UHFFFAOYSA-N- Molecular formula
- C6H10N2O
- Average molar mass
- 126.16 g/mol
- Monoisotopic mass
- 126.07931295
Names & identifiers
- Preferred name
- 2-Pyrazolin-5-one, 1,3,4-trimethyl-
- IUPAC
- 2,4,5-trimethyl-4H-pyrazol-3-one
- English name
- 2,4-Dihydro-2,4,5-trimethyl-3H-pyrazol-3-one
- Molecular formula
- C6H10N2O
- Molecular weight
- 126.16
Names & synonyms
17826-82-32-Pyrazolin-5-one, 1,3,4-trimethyl-DTXSID803423393H-Pyrazol-3-one, 2,4-dihydro-2,4,5-trimethyl-RefChem:266520DTXCID40293419CACWZFVIOGIBFP-UHFFFAOYSA-N1,3,4-trimethyl-4,5-dihydro-1H-pyrazol-5-one2,4,5-Trimethyl-2,4-dihydro-3H-pyrazol-3-one2,4,5-trimethyl-4H-pyrazol-3-oneSCHEMBL8930592AKOS010224363
Show more names
2,4-Dihydro-2,4,5-trimethyl-3H-pyrazol-3-one
EN300-807232,4,5-Trimethyl-2,4-dihydro-3H-pyrazol-3-one #Z727720668
Database identifiers
- CAS
17826-82-3- PubChem CID
- 580964
- DTXSID
DTXSID80342339- Nikkaji
- J116.935A
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 133 · 133-134 °C
- Boiling point
- 154 °C · 154 °C(Press: 19 Torr)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 2.97 · 2.97±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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