TL;DR: [4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl][5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone (CAS 1005667-34-4) is a chemical compound with molecular formula C11H10BrF5N4O2 and molecular weight 403.99072 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone
Also Known As: [4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl][5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone, [4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone, 1-{[4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}-5-(difluoromethyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol
| Molecular Formula | C11H10BrF5N4O2 |
| Molecular Weight | 403.99072 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 70.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 403.99072 Da |
| Heavy Atoms | 23 |
| Complexity | 531.0 |
| SMILES | CC1=NN(C(C1)(C(F)F)O)C(=O)C2=C(C(=NN2C)C(F)(F)F)Br |
| InChIKey | WUPVLSBOQLIAJT-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl][5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl][5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone. Following Lipinski's Rule of Five, [4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl][5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl][5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone is 1005667-34-4.
The molecular formula of [4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl][5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone is C11H10BrF5N4O2.
The molecular weight of [4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl][5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone is 403.99072 g/mol.
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