TL;DR: 3-(4-Bromopyrazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one (CAS 1005577-06-9) is a chemical compound with molecular formula C17H21BrN4O2 and molecular weight 392.08478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-bromopyrazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
Also Known As: 3-(4-bromopyrazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one, 4-{4-[3-(4-bromo-1H-pyrazol-1-yl)propanoyl]-1-piperazinyl}phenyl methyl ether, 3-(4-bromo-1H-pyrazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one, 3-(4-BROMO-1H-PYRAZOL-1-YL)-1-[4-(4-METHOXYPHENYL)PIPERAZINO]-1-PROPANONE
| Molecular Formula | C17H21BrN4O2 |
| Molecular Weight | 392.08478 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.08478 Da |
| Heavy Atoms | 24 |
| Complexity | 409.0 |
| SMILES | COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCN3C=C(C=N3)Br |
| InChIKey | QNYPUNUSTKQENK-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Bromopyrazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one. With a topological polar surface area (TPSA) of 50.6 Ų, 3-(4-Bromopyrazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Bromopyrazol-1-yl)-1-[4-(4-methoxyphenyl)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 3-(4-Bromopyrazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one is 1005577-06-9.
The molecular formula of 3-(4-Bromopyrazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one is C17H21BrN4O2.
The molecular weight of 3-(4-Bromopyrazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one is 392.08478 g/mol.
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