TL;DR: 1-(5-(2-hydroxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone (CAS 131557-39-6) is a chemical compound with molecular formula C15H14N2O2S and molecular weight 286.0776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
Also Known As: BAS 10853693, F1792-0043, 1-(5-(2-hydroxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone, 1-[3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone, 1-[5-(2-Hydroxy-phenyl)-3-thiophen-2-yl-4,5-dihydro-pyrazol-1-yl]-ethanone
| Molecular Formula | C15H14N2O2S |
| Molecular Weight | 286.0776 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.0776 Da |
| Heavy Atoms | 20 |
| Complexity | 413.0 |
| SMILES | CC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=CC=C3O |
| InChIKey | RXUHDOBIGGDHQL-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-(2-hydroxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-(2-hydroxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone. Following Lipinski's Rule of Five, 1-(5-(2-hydroxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone has 1 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 1-(5-(2-hydroxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone is 131557-39-6.
The molecular formula of 1-(5-(2-hydroxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone is C15H14N2O2S.
The molecular weight of 1-(5-(2-hydroxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone is 286.0776 g/mol.
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