TL;DR: 2-(4-bromo-5-methylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (CAS 1005591-21-8) is a chemical compound with molecular formula C17H20BrFN4O and molecular weight 394.08044 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-bromo-5-methylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
Also Known As: 2-(4-bromo-5-methylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one, 2-(4-bromo-5-methyl-1H-pyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one, 2-(4-BROMO-5-METHYL-1H-PYRAZOL-1-YL)-1-[4-(4-FLUOROPHENYL)PIPERAZINO]-1-PROPANONE, 2-(4-bromo-5-methyl-pyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one, 2-(4-bromo-5-methylpyrazolyl)-1-[4-(4-fluorophenyl)piperazinyl]propan-1-one
| Molecular Formula | C17H20BrFN4O |
| Molecular Weight | 394.08044 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 41.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.08044 Da |
| Heavy Atoms | 24 |
| Complexity | 438.0 |
| SMILES | CC1=C(C=NN1C(C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F)Br |
| InChIKey | XAMRLRRVKVMWDN-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 2-(4-bromo-5-methylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.4 Ų, 2-(4-bromo-5-methylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-bromo-5-methylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(4-bromo-5-methylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is 1005591-21-8.
The molecular formula of 2-(4-bromo-5-methylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is C17H20BrFN4O.
The molecular weight of 2-(4-bromo-5-methylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is 394.08044 g/mol.
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