4-[[3-Ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one
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Basic information
- CAS
496844-71-4- Standard SMILES
CCOc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)ccc1OCCOc1ccc(OC)cc1- InChIKey
CZPVXQPMYKMVMV-UHFFFAOYSA-N- Molecular formula
- C28H28N2O5
- Average molar mass
- 472.5 g/mol
- Monoisotopic mass
- 472.199822
Names & identifiers
- Preferred name
- 4-[[3-Ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one
- IUPAC
- 4-[[3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one
- English name
- 4-{3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
- Molecular formula
- C28H28N2O5
- Molecular weight
- 472.53
Names & synonyms
4-{3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
496844-71-4- PubChem CID
- 3454950
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 740
Physicochemical properties
- Boiling point
- 639.184 · 639.184±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.167 · 1.167±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.269 · -0.269±0.40(predicted)
Related reactions
0 records
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Compound notes
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