3-(4-(p-Fluorophenyl)-1,2,3,6-tetrahydro-1-pyridyl)-1-(1-(2-hydroxyethyl)-5-methyl-4-pyrazolyl)-1-propanone
Basic information
- CAS
21686-09-9- Standard SMILES
Cc1c(C(=O)CCN2CC=C(c3ccc(F)cc3)CC2)cnn1CCO- InChIKey
MBAQRSKEYXLLNY-UHFFFAOYSA-N- Molecular formula
- C20H24FN3O2
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.18525518
Overview
Flupranone is a small molecule drug. Flupranone has a monoisotopic molecular weight of 357.19 Da.
Names & identifiers
- Preferred name
- 3-(4-(p-Fluorophenyl)-1,2,3,6-tetrahydro-1-pyridyl)-1-(1-(2-hydroxyethyl)-5-methyl-4-pyrazolyl)-1-propanone
- IUPAC
- 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]propan-1-one
- English name
- Flupranone
- Molecular formula
- C20H24FN3O2
- Molecular weight
- 357.42
Names & synonyms
3-(4-(p-Fluorophenyl)-1,2,3,6-tetrahydro-1-pyridyl)-1-(1-(2-hydroxyethyl)-5-methyl-4-pyrazolyl)-1-propanoneRefChem:910987Flupranone21686-10-2Flupranone [INN]3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]propan-1-oneN0U9G33XKT21686-09-93-(4-(p-Fluorophenyl)-3,6-dihydro-1(2H)-pyridyl)-1-(1-(2-hydroxyethyl)-5-methylpyrazol-4-yl)-1-propanoneFlupranonaCiba 4416B-GoCiba 4416/B-Go
Show more names
C 4416-Go1-Propanone, 3-[4-(4-fluorophenyl)-3,6-dihydro-1(2H)-pyridinyl]-1-[1-(2-hydroxyethyl)-5-methyl-1H-pyrazol-4-yl]-
UNII-N0U9G33XKTCIBA 4416-B-Goorb2566222SCHEMBL2109984CHEMBL2104649DTXSID30865008WAA686103-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2H)-yl]-1-[1-(2-hydroxyethyl)-5-methyl-1H-pyrazol-4-yl]propan-1-one
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 505
Physicochemical properties
- Melting point
- 147 · 147-148 °C
- Boiling point
- 548.1 · 548.1±50.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 14.35 · 14.35±0.10(Predicted)
- FDA UNII
- 0 U9G33XKT · N0U9G33XKT
Chemistry & industry
Applications
UsesFlupranone is a Pyrazole derivatives with antiinflammatory and antihypertensive properties.
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Related reactions
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Compound notes
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