TL;DR: 2,3-dimethoxy-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide (CAS 1005702-54-4) is a chemical compound with molecular formula C15H18N4O5 and molecular weight 334.12772 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-dimethoxy-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide
Also Known As: 2,3-dimethoxy-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide, 2,3-dimethoxy-N-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]benzamide, 2,3-dimethoxy-N-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]benzamide
| Molecular Formula | C15H18N4O5 |
| Molecular Weight | 334.12772 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.12772 Da |
| Heavy Atoms | 24 |
| Complexity | 444.0 |
| SMILES | CC1=CC(=NN1CCNC(=O)C2=C(C(=CC=C2)OC)OC)[N+](=O)[O-] |
| InChIKey | YAQRCXJCAUSNKD-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-dimethoxy-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-dimethoxy-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide. Following Lipinski's Rule of Five, 2,3-dimethoxy-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,3-dimethoxy-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide is 1005702-54-4.
The molecular formula of 2,3-dimethoxy-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide is C15H18N4O5.
The molecular weight of 2,3-dimethoxy-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide is 334.12772 g/mol.
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