1-Acetyl-3-(4-ethoxyphenyl)-5-(4-hydroxyphenyl)-2-pyrazoline
Basic information
- CAS
5496-40-2- Standard SMILES
CCOc1ccc(C2=NN(C(C)=O)C(c3ccc(O)cc3)C2)cc1- InChIKey
NHUYWEXMQCJMGM-UHFFFAOYSA-N- Molecular formula
- C19H20N2O3
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.1473925
Names & identifiers
- Preferred name
- 1-Acetyl-3-(4-ethoxyphenyl)-5-(4-hydroxyphenyl)-2-pyrazoline
- IUPAC
- 1-[5-(4-ethoxyphenyl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
Names & synonyms
1-acetyl-3-(4-ethoxyphenyl)-5-(4-hydroxyphenyl)-2-pyrazolineST501122445496-40-2853750-35-3DTXSID904120971-[3-(4-ethoxyphenyl)-5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-oneSTK865861AKOS002235357AKOS016302954Z577289211-[3-(4-ethoxyphenyl)-5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
Database identifiers
- CAS
5496-40-2- PubChem CID
- 5235035
- DTXSID
DTXSID90412097
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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