(4E)-2-(3,4-dichlorophenyl)-4-[(2-methoxyphenyl)methylidene]-5-methylpyrazol-3-one
Basic information
- CAS
5581-85-1- Standard SMILES
COc1ccccc1/C=C1/C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1C- InChIKey
MVPCIULKZVILGF-NTEUORMPSA-N- Molecular formula
- C18H14Cl2N2O2
- Average molar mass
- 361.2 g/mol
- Monoisotopic mass
- 360.0432331
Names & identifiers
- Preferred name
- (4E)-2-(3,4-dichlorophenyl)-4-[(2-methoxyphenyl)methylidene]-5-methylpyrazol-3-one
- IUPAC
- (4E)-2-(3,4-dichlorophenyl)-4-[(2-methoxyphenyl)methylidene]-5-methylpyrazol-3-one
Names & synonyms
5581-85-1(4E)-2-(3,4-dichlorophenyl)-4-[(2-methoxyphenyl)methylidene]-5-methylpyrazol-3-one2-(3,4-dichlorophenyl)-4-(2-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-oneAC1NSJZPDTXSID50416531AKOS003194201AK-968/33482038(4E)-2-(3,4-Dichlorophenyl)-4-[(2-methoxyphenyl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
5581-85-1- PubChem CID
- 5335301
- DTXSID
DTXSID50416531
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 549
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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