1-(4-nitrophenyl)-3-phenyl-1H-pyrazole-4-carbaldehyde (4-chlorophenyl)hydrazone
Basic information
- CAS
1007477-79-3- Standard SMILES
O=[N+]([O-])c1ccc(-n2cc(/C=N/Nc3ccc(Cl)cc3)c(-c3ccccc3)n2)cc1- InChIKey
PQFIUEKNBSDOPU-ZVHZXABRSA-N- Molecular formula
- C22H16ClN5O2
- Average molar mass
- 417.8 g/mol
- Monoisotopic mass
- 417.0992525
Names & identifiers
- Preferred name
- 1-(4-nitrophenyl)-3-phenyl-1H-pyrazole-4-carbaldehyde (4-chlorophenyl)hydrazone
- IUPAC
- 4-chloro-N-[(E)-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]methylideneamino]aniline
- English name
- 1-(4-Nitrophenyl)-3-phenyl-1H-pyrazole-4-carbaldehyde (4-chlorophenyl)hydrazone
- Molecular formula
- C22H16ClN5O2
- Molecular weight
- 417.85
Names & synonyms
AKOS0244090571-(4-nitrophenyl)-3-phenyl-1H-pyrazole-4-carbaldehyde (4-chlorophenyl)hydrazone1H-Pyrazole-4-carboxaldehyde, 1-(4-nitrophenyl)-3-phenyl-, 2-(4-chlorophenyl)hydrazone
Database identifiers
- CAS
1007477-79-3- PubChem CID
- 9656359
- EC Number
- 127-047-0
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 579
Physicochemical properties
- Boiling point
- 624.712 · 624.712±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.339 · 1.339±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.164 · 11.164±0.10(predicted)
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Related reactions
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Compound notes
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