TL;DR: (4-bromo-1-ethyl-1H-pyrazol-5-yl)(2,6-dimethylmorpholin-4-yl)methanone (CAS 1005584-18-8) is a chemical compound with molecular formula C12H18BrN3O2 and molecular weight 315.05823 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-bromo-1-ethylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
Also Known As: (4-bromo-1-ethyl-1H-pyrazol-5-yl)(2,6-dimethylmorpholin-4-yl)methanone, (4-Bromo-1-ethyl-1H-pyrazol-5-yl)(2,6-dimethyl-4-morpholinyl)methanone, (4-BROMO-1-ETHYL-1H-PYRAZOL-5-YL)(2,6-DIMETHYLMORPHOLINO)METHANONE, (4-bromo-2-ethyl-pyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone, (4-bromo-2-ethylpyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone
| Molecular Formula | C12H18BrN3O2 |
| Molecular Weight | 315.05823 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 47.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.05823 Da |
| Heavy Atoms | 18 |
| Complexity | 306.0 |
| SMILES | CCN1C(=C(C=N1)Br)C(=O)N2CC(OC(C2)C)C |
| InChIKey | JORZEFPZTNUJEM-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-bromo-1-ethyl-1H-pyrazol-5-yl)(2,6-dimethylmorpholin-4-yl)methanone. With a topological polar surface area (TPSA) of 47.4 Ų, (4-bromo-1-ethyl-1H-pyrazol-5-yl)(2,6-dimethylmorpholin-4-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-bromo-1-ethyl-1H-pyrazol-5-yl)(2,6-dimethylmorpholin-4-yl)methanone has 0 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 (4-bromo-1-ethyl-1H-pyrazol-5-yl)(2,6-dimethylmorpholin-4-yl)methanone is 1005584-18-8.
The molecular formula of (4-bromo-1-ethyl-1H-pyrazol-5-yl)(2,6-dimethylmorpholin-4-yl)methanone is C12H18BrN3O2.
The molecular weight of (4-bromo-1-ethyl-1H-pyrazol-5-yl)(2,6-dimethylmorpholin-4-yl)methanone is 315.05823 g/mol.
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