5-Ethoxy-2-phenyl-2,4-dihydro-3h-pyrazol-3-one
Basic information
- CAS
16105-49-0- Standard SMILES
CCOC1=NN(c2ccccc2)C(=O)C1- InChIKey
PSKUDTZBYNRRHS-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.08987763
Names & identifiers
- Preferred name
- 5-Ethoxy-2-phenyl-2,4-dihydro-3h-pyrazol-3-one
- IUPAC
- 5-ethoxy-2-phenyl-4H-pyrazol-3-one
Names & synonyms
16105-49-03-Ethoxy-1-phenyl-1H-pyrazol-5(4H)-one5-ethoxy-2-phenyl-2,4-dihydro-3h-pyrazol-3-oneNSC158407SCHEMBL13942814DTXSID10303458PSKUDTZBYNRRHS-UHFFFAOYSA-NNSC-1584073H-Pyrazol-3-one, 5-ethoxy-2,4-dihydro-2-phenyl-
Database identifiers
- CAS
16105-49-0- PubChem CID
- 292576
- DTXSID
DTXSID10303458- Nikkaji
- J1.687.689E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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