Basic information
- CAS
365981-58-4- Standard SMILES
CCN(CC)c1ccc(C=C2C(=O)N(c3ccccc3)N=C2C)o1- InChIKey
LVBPHLAXVQTNMV-UHFFFAOYSA-N- Molecular formula
- C19H21N3O2
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.16337692
Names & identifiers
- Preferred name
- 4-[[5-(Diethylamino)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one
- IUPAC
- 4-[[5-(diethylamino)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one
- English name
- 3H-Pyrazol-3-one, 4-[[5-(diethylamino)-2-furanyl]methylene]-2,4-dihydro-5-methyl-2-phenyl-
- Molecular formula
- C19H21N3O2
- Molecular weight
- 323.39
Names & synonyms
3H-Pyrazol-3-one, 4-[[5-(diethylamino)-2-furanyl]methylene]-2,4-dihydro-5-methyl-2-phenyl-
Database identifiers
- CAS
365981-58-4- PubChem CID
- 91988886
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 519
Physicochemical properties
- Boiling point
- 467.074 · 467.074±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.154 · 1.154±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.027 · 5.027±0.50(predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…