Basic information
- CAS
328532-42-9- Standard SMILES
CCN(CC)c1ccc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1- InChIKey
MOTJXVKERVMPDT-UHFFFAOYSA-N- Molecular formula
- C23H22N6
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.19059473
Names & identifiers
- Preferred name
- 5-Amino-3-[1-cyano-2-[4-(diethylamino)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile
- IUPAC
- 5-amino-3-[1-cyano-2-[4-(diethylamino)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile
- English name
- 5-amino-3-{1-cyano-2-[4-(diethylamino)phenyl]vinyl}-1-phenyl-1H-pyrazole-4-carbonitrile
- Molecular formula
- C23H22N6
- Molecular weight
- 382.46
Names & synonyms
5-amino-3-{1-cyano-2-[4-(diethylamino)phenyl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile5-amino-3-{1-cyano-2-[4-(diethylamino)phenyl]vinyl}-1-phenyl-1H-pyrazole-4-carbonitrile
Database identifiers
- CAS
328532-42-9- PubChem CID
- 2872385
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 94.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 651
Physicochemical properties
- Boiling point
- 637.883 · 637.883±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.152 · 1.152±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.251 · 5.251±0.44(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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