1H-Pyrazole, 5-chloro-3-methyl-1-phenyl-4-(phenylazo)-
Basic information
- CAS
76492-71-2- Standard SMILES
Cc1nn(-c2ccccc2)c(Cl)c1N=Nc1ccccc1- InChIKey
ABWUGKKYCJKJKE-UHFFFAOYSA-N- Molecular formula
- C16H13ClN4
- Average molar mass
- 296.75 g/mol
- Monoisotopic mass
- 296.0828741
Names & identifiers
- Preferred name
- 1H-Pyrazole, 5-chloro-3-methyl-1-phenyl-4-(phenylazo)-
- IUPAC
- (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-phenyldiazene
- English name
- Pyrazole, 5-chloro-3-methyl-1-phenyl-4-phenylazo-
- Molecular formula
- C16H13ClN4
- Molecular weight
- 296.75
Names & synonyms
76492-71-21H-Pyrazole, 5-chloro-3-methyl-1-phenyl-4-(phenylazo)-ST50976403CBDivE_003714Pyrazole, 5-chloro-3-methyl-1-phenyl-4-phenylazo-SCHEMBL11325349SCHEMBL13561027DTXSID80339289ABWUGKKYCJKJKE-VHEBQXMUSA-NAKOS024351630(5-chloro-3-methyl-1-phenylpyrazol-4-yl)phenyldiazene5-Chloro-3-methyl-1-phenyl-4-(phenyldiazenyl)-1H-pyrazole
Show more names
5-Chloro-3-methyl-1-phenyl-4-[(E)-phenyldiazenyl]-1H-pyrazole5-Chloro-3-methyl-1-phenyl-4-[(E)-phenyldiazenyl]-1H-pyrazole #
Database identifiers
- CAS
76492-71-2- PubChem CID
- 555229
- DTXSID
DTXSID80339289
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Melting point
- 109 °C · 109 °C
- Boiling point
- 465.028 · 465.028±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.247 · 1.247±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -3.617 · -3.617±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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