1-(3,4-Dimethylphenyl)-3,4-dimethylpyrano[2,3-c]pyrazol-6-one
Basic information
- CAS
339218-72-3- Standard SMILES
Cc1ccc(-n2nc(C)c3c(C)cc(=O)oc32)cc1C- InChIKey
ZGMXEAIVEMWICS-UHFFFAOYSA-N- Molecular formula
- C16H16N2O2
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.12117776
Names & identifiers
- Preferred name
- 1-(3,4-Dimethylphenyl)-3,4-dimethylpyrano[2,3-c]pyrazol-6-one
- IUPAC
- 1-(3,4-dimethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
- English name
- 1-(3,4-dimethylphenyl)-3,4-dimethylpyrano[2,3-c]pyrazol-6(1H)-one
- Molecular formula
- C16H16N2O2
- Molecular weight
- 268.31
Names & synonyms
1-(3,4-Dimethylphenyl)-3,4-dimethylpyrano[2,3-c]pyrazol-6(1H)-one339218-72-31-(3,4-dimethylphenyl)-3,4-dimethylpyrano[2,3-c]pyrazol-6-oneDelafloxacin Impurity 54TimTec1_007914HMS1556H16S22945LVB5HTS13449AKOS000430162CCG-111507IDI1_033568ST50016925
Show more names
AB00087988-01SR-01000488040SR-01000488040-11-(3,4-dimethylphenyl)-3,4-dimethylpyrano[5,6-d]pyrazol-6-onePyrano[2,3-c]pyrazol-6(1H)-one, 1-(3,4-dimethylphenyl)-3,4-dimethyl-
Database identifiers
- CAS
339218-72-3- PubChem CID
- 696279
- UNII
- S22945LVB5
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 434
Physicochemical properties
- Boiling point
- 457.32 · 457.320±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.217 · 1.217±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.496 · -0.496±0.20(predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…