1,2-Dihydro-1,4,5-trimethyl-2-phenyl-3H-pyrazol-3-one
Basic information
- CAS
5677-84-9- Standard SMILES
Cc1c(C)n(C)n(-c2ccccc2)c1=O- InChIKey
QICABJKBSHCINA-UHFFFAOYSA-N- Molecular formula
- C12H14N2O
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.11061307
Names & identifiers
- Preferred name
- 1,2-Dihydro-1,4,5-trimethyl-2-phenyl-3H-pyrazol-3-one
- IUPAC
- 1,4,5-trimethyl-2-phenylpyrazol-3-one
Names & synonyms
5677-84-93-Pyrazolin-5-one, 1-phenyl-2,3,4-trimethyl-DTXSID10205322RefChem:1052262DTXCID101278131,2-Dihydro-1,4,5-trimethyl-2-phenyl-3H-pyrazol-3-one1,4,5-Trimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one4-Methylantipyrine1-Phenyl-2,3,4-trimethyl-3-pyrazolin-5-oneBRN 01710073H-Pyrazol-3-one, 2,4-dihydro-1,4,5-trimethyl-2-phenyl-5-24-01-00373 (Beilstein Handbook Reference)
Show more names
1,4,5-Trimethyl-2-phenyl-1,2-dihydro-pyrazol-3-oneSCHEMBL2449604SCHEMBL2449608QICABJKBSHCINA-UHFFFAOYSA-N1,4,5-trimethyl-2-phenyl-pyrazol-3-onepyrazole, 2,3-dihydro-1,4,5-trimethyl-3-oxo-2-phenyl-3H-Pyrazol-3-one, 1,2-dihydro-1,4,5-trimethyl-2-phenyl-
Database identifiers
- CAS
5677-84-9- PubChem CID
- 201234
- DTXSID
DTXSID10205322
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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