Basic information
- CAS
5022-92-4- Standard SMILES
O=c1[nH]n(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1- InChIKey
YGRXMOCJHCFIEY-UHFFFAOYSA-N- Molecular formula
- C21H16N2O
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.12626314
Names & identifiers
- Preferred name
- 1,4,5-Triphenyl-1,2-dihydro-3H-pyrazol-3-one
- IUPAC
- 2,3,4-triphenyl-1H-pyrazol-5-one
Names & synonyms
5022-92-41,4,5-Triphenyl-1H-pyrazol-3(2H)-one1,4,5-Triphenyl-1,2-dihydro-3H-pyrazol-3-oneSCHEMBL11050609SCHEMBL23399903DTXSID20497519
Database identifiers
- CAS
5022-92-4- PubChem CID
- 12422367
- DTXSID
DTXSID20497519- Nikkaji
- J1.568.098I
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 480
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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