[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[2-(3-methoxyphenyl)quinolin-4-yl]methanone
Basic information
- CAS
438234-92-5- Standard SMILES
COc1cccc(-c2cc(C(=O)N3N=C(C(F)F)CC3(O)C(F)F)c3ccccc3n2)c1- InChIKey
APCPSMYQBTYKND-UHFFFAOYSA-N- Molecular formula
- C22H17F4N3O3
- Average molar mass
- 447.4 g/mol
Names & identifiers
- Preferred name
- [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[2-(3-methoxyphenyl)quinolin-4-yl]methanone
- IUPAC
- [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[2-(3-methoxyphenyl)quinolin-4-yl]methanone
- English name
- 3,5-bis(difluoromethyl)-1-{[2-(3-methoxyphenyl)-4-quinolinyl]carbonyl}-4,5-dihydro-1H-pyrazol-5-ol
- Molecular formula
- C22H17F4N3O3
- Molecular weight
- 447.3822928
Names & synonyms
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[2-(3-methoxyphenyl)quinolin-4-yl]methanone[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl][2-(3-methoxyphenyl)quinolin-4-yl]methanone3,5-bis(difluoromethyl)-1-{[2-(3-methoxyphenyl)-4-quinolinyl]carbonyl}-4,5-dihydro-1H-pyrazol-5-olAK-968/41924119STK449472AKOS003294104AKOS022153002ST508322193,5-bis(difluoromethyl)-5-hydroxy(2-pyrazolinyl) 2-(3-methoxyphenyl)(4-quinoly l) ketone[3,5-BIS(DIFLUOROMETHYL)-5-HYDROXY-4,5-DIHYDRO-1H-PYRAZOL-1-YL][2-(3-METHOXYPHENYL)-4-QUINOLYL]METHANONE438234-92-5
Database identifiers
- CAS
438234-92-5
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 75 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 725
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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