TL;DR: Ketone, methyl 5-methyl-1-(2-quinoxalinyl)-4-pyrazolyl (CAS 21621-73-8) is a chemical compound with molecular formula C14H12N4O and molecular weight 252.1011 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(5-methyl-1-quinoxalin-2-ylpyrazol-4-yl)ethanone
Also Known As: Methyl 5-methyl-1-(2-quinoxalinyl)-4-pyrazolyl ketone, 5-25-17-00411 (Beilstein Handbook Reference), 1-(5-methyl-1-quinoxalin-2-ylpyrazol-4-yl)ethanone, KETONE, METHYL 5-METHYL-1-(2-QUINOXALINYL)-4-PYRAZOLYL, KETONE,METHYL 5-METHYL-1-(2-QUINOXALINYL)-4-PYRAZOLYL
| Molecular Formula | C14H12N4O |
| Molecular Weight | 252.1011 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.1011 Da |
| Heavy Atoms | 19 |
| Complexity | 348.0 |
| SMILES | CC1=C(C=NN1C2=NC3=CC=CC=C3N=C2)C(=O)C |
| InChIKey | WJUROSUYIAUHMJ-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ketone, methyl 5-methyl-1-(2-quinoxalinyl)-4-pyrazolyl. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ketone, methyl 5-methyl-1-(2-quinoxalinyl)-4-pyrazolyl. Following Lipinski's Rule of Five, Ketone, methyl 5-methyl-1-(2-quinoxalinyl)-4-pyrazolyl 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 Ketone, methyl 5-methyl-1-(2-quinoxalinyl)-4-pyrazolyl is 21621-73-8.
The molecular formula of Ketone, methyl 5-methyl-1-(2-quinoxalinyl)-4-pyrazolyl is C14H12N4O.
The molecular weight of Ketone, methyl 5-methyl-1-(2-quinoxalinyl)-4-pyrazolyl is 252.1011 g/mol.
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