TL;DR: 1-(5-(4-bromophenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone (CAS 145626-12-6) is a chemical compound with molecular formula C17H15BrN2O2 and molecular weight 358.03168 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-(4-bromophenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
Also Known As: 1-(5-(4-bromophenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone, 1-[5-(4-bromophenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone, 4,5-Dihydro-3-(2-hydroxyphenyl)-1-acetyl-5-(4-bromophenyl)-1H-pyrazole, (6E)-6-[1-acetyl-5-(4-bromophenyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one, 1-[5-(4-bromophenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
| Molecular Formula | C17H15BrN2O2 |
| Molecular Weight | 358.03168 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.03168 Da |
| Heavy Atoms | 22 |
| Complexity | 446.0 |
| SMILES | CC(=O)N1C(CC(=N1)C2=CC=CC=C2O)C3=CC=C(C=C3)Br |
| InChIKey | WKODMFSPVUOZAR-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 1-(5-(4-bromophenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, 1-(5-(4-bromophenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-(4-bromophenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(5-(4-bromophenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone is 145626-12-6.
The molecular formula of 1-(5-(4-bromophenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone is C17H15BrN2O2.
The molecular weight of 1-(5-(4-bromophenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone is 358.03168 g/mol.
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