Basic information
- CAS
52128-85-5- Standard SMILES
Cc1cc(=O)n(-c2ccccc2)n1-c1ccccc1- InChIKey
CUKIVZPMDBQMFQ-UHFFFAOYSA-N- Molecular formula
- C16H14N2O
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.11061307
Names & identifiers
- Preferred name
- 5-methyl-1,2-diphenyl-1,2-dihydro-3H-pyrazol-3-one
- IUPAC
- 5-methyl-1,2-diphenylpyrazol-3-one
Names & synonyms
52128-85-55-methyl-1,2-diphenylpyrazol-3-one5-methyl-1,2-diphenyl-1,2-dihydro-3H-pyrazol-3-one5-Methyl-1,2-diphenyl-1H-pyrazol-3(2H)-oneCambridge id 6970749Oprea1_344549MLS000677236SCHEMBL5426155CHEMBL1449650CUKIVZPMDBQMFQ-UHFFFAOYSA-NDTXSID801031507HMS2532K15
Show more names
SMR000271054AH-034/10839035SR-01000247758SR-01000247758-1
Database identifiers
- CAS
52128-85-5- PubChem CID
- 802103
- DTXSID
DTXSID801031507- ChEMBL
CHEMBL1449650
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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