CID 6610386
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Basic information
- CAS
338751-17-0- Standard SMILES
CCOC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(F)cc1F- InChIKey
NHNBIXHVIZIZLZ-UHFFFAOYSA-N- Molecular formula
- C18H14ClF2N3O2
- Average molar mass
- 377.8 g/mol
- Monoisotopic mass
- 377.0742607
Names & identifiers
- Preferred name
- CID 6610386
- IUPAC
- 2-(4-chlorophenyl)-4-[(2,4-difluoroanilino)methylidene]-5-ethoxypyrazol-3-one
- English name
- 2-(4-CHLOROPHENYL)-4-[(2,4-DIFLUOROANILINO)METHYLENE]-5-ETHOXY-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
- Molecular formula
- C18H14ClF2N3O2
- Molecular weight
- 377.77
Names & synonyms
2-(4-CHLOROPHENYL)-4-[(2,4-DIFLUOROANILINO)METHYLENE]-5-ETHOXY-2,4-DIHYDRO-3H-PYRAZOL-3-ONE3H-Pyrazol-3-one, 2-(4-chlorophenyl)-4-[[(2,4-difluorophenyl)amino]methylene]-5-ethoxy-2,4-dihydro-(4Z)-1-(4-chlorophenyl)-4-{[(2,4-difluorophenyl)amino]methylidene}-3-ethoxy-4,5-dihydro-1H-pyrazol-5-one
Database identifiers
- CAS
338751-17-0- PubChem CID
- 6610386
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 579
Physicochemical properties
- Boiling point
- 437.6 · 437.6±55.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 6.33 · 6.33±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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