7-methoxy-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-4-one
Basic information
- CAS
61034-10-4- Standard SMILES
COc1ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)coc2c1- InChIKey
CUZDUOSAVZVNSJ-UHFFFAOYSA-N- Molecular formula
- C19H14N2O3
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 318.10044231
Names & identifiers
- Preferred name
- 7-methoxy-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-4-one
- IUPAC
- 7-methoxy-3-(1-phenylpyrazol-4-yl)chromen-4-one
- English name
- 7-methoxy-3-(1-phenylpyrazol-4-yl)chromen-4-one
- Molecular formula
- C19H14N2O3
- Molecular weight
- 318.33
Names & synonyms
61034-10-47-methoxy-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-4-one7-methoxy-3-(1-phenylpyrazol-4-yl)chromen-4-oneZINC00407243Oprea1_076187Oprea1_710857IFLab1_000477DTXSID80357589HMS1413F15AKOS001012440IDI1_008696ST50449943
Show more names
4H-1-Benzopyran-4-one, 7-methoxy-3-(1-phenyl-1H-pyrazol-4-yl)-
SR-01000416958SR-01000416958-1Z567673847-Methoxy-3-(1-phenyl-1H-pyrazol-4-yl)-4H-1-benzopyran-4-one7-METHOXY-3-(1-PHENYL-1H-PYRAZOL-4-YL)-CHROMEN-4-ONE
Database identifiers
- CAS
61034-10-4- PubChem CID
- 854577
- DTXSID
DTXSID80357589- EC Number
- 166-509-6
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 501
Physicochemical properties
- Melting point
- 175 °C · 175 °C(Solv: ethanol (64-17-5))
- Boiling point
- 518.9 · 518.9±50.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- -0.35 · -0.35±0.10(Predicted)
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Compound notes
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