TL;DR: [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]methanone (CAS 512824-48-5) is a chemical compound with molecular formula C22H22F4N2O3 and molecular weight 438.15665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]methanone
Also Known As: [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]methanone, [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl](4-{[4-(propan-2-yl)phenoxy]methyl}phenyl)methanone, [3,5-BIS(DIFLUOROMETHYL)-5-HYDROXY-4,5-DIHYDRO-1H-PYRAZOL-1-YL]{4-[(4-ISOPROPYLPHENOXY)METHYL]PHENYL}METHANONE, 3,5-bis(difluoromethyl)-1-{4-[(4-isopropylphenoxy)methyl]benzoyl}-4,5-dihydro-1H-pyrazol-5-ol
| Molecular Formula | C22H22F4N2O3 |
| Molecular Weight | 438.15665 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.15665 Da |
| Heavy Atoms | 31 |
| Complexity | 645.0 |
| SMILES | CC(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)N3C(CC(=N3)C(F)F)(C(F)F)O |
| InChIKey | CZNSKCQIFSPDNZ-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]methanone. Following Lipinski's Rule of Five, [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]methanone has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]methanone is 512824-48-5.
The molecular formula of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]methanone is C22H22F4N2O3.
The molecular weight of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]methanone is 438.15665 g/mol.
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