TL;DR: (3,5-Dimethyl-1H-pyrazol-1-yl)(4-ethoxy-3,5-dimethoxyphenyl)methanone (CAS 108132-59-8) is a chemical compound with molecular formula C16H20N2O4 and molecular weight 304.1423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,5-dimethylpyrazol-1-yl)-(4-ethoxy-3,5-dimethoxyphenyl)methanone
Also Known As: 1H-Pyrazole, 1-(4-ethoxy-3,5-dimethoxybenzoyl)-3,5-dimethyl-, 1-(4-Ethoxy-3,5-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole, (3,5-Dimethyl-1H-pyrazol-1-yl)(4-ethoxy-3,5-dimethoxyphenyl)methanone, (3,5-dimethylpyrazol-1-yl)-(4-ethoxy-3,5-dimethoxyphenyl)methanone, BRN 5973002
| Molecular Formula | C16H20N2O4 |
| Molecular Weight | 304.1423 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.1423 Da |
| Heavy Atoms | 22 |
| Complexity | 365.0 |
| SMILES | CCOC1=C(C=C(C=C1OC)C(=O)N2C(=CC(=N2)C)C)OC |
| InChIKey | NENMBVQLWYILRX-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,5-Dimethyl-1H-pyrazol-1-yl)(4-ethoxy-3,5-dimethoxyphenyl)methanone. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,5-Dimethyl-1H-pyrazol-1-yl)(4-ethoxy-3,5-dimethoxyphenyl)methanone. Following Lipinski's Rule of Five, (3,5-Dimethyl-1H-pyrazol-1-yl)(4-ethoxy-3,5-dimethoxyphenyl)methanone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (3,5-Dimethyl-1H-pyrazol-1-yl)(4-ethoxy-3,5-dimethoxyphenyl)methanone is 108132-59-8.
The molecular formula of (3,5-Dimethyl-1H-pyrazol-1-yl)(4-ethoxy-3,5-dimethoxyphenyl)methanone is C16H20N2O4.
The molecular weight of (3,5-Dimethyl-1H-pyrazol-1-yl)(4-ethoxy-3,5-dimethoxyphenyl)methanone is 304.1423 g/mol.
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