TL;DR: N-(5-chloro-2-methoxyphenyl)-2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide (CAS 1005587-38-1) is a chemical compound with molecular formula C20H19ClN4O4 and molecular weight 414.1095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(5-chloro-2-methoxyphenyl)-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide
Also Known As: N-(5-chloro-2-methoxyphenyl)-2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide, N-(5-chloro-2-methoxyphenyl)-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide, N-(5-chloro-2-methoxy-phenyl)-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide
| Molecular Formula | C20H19ClN4O4 |
| Molecular Weight | 414.1095 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.1095 Da |
| Heavy Atoms | 29 |
| Complexity | 589.0 |
| SMILES | CC1=C(C(=NN1CC2=CC=CC=C2C(=O)NC3=C(C=CC(=C3)Cl)OC)C)[N+](=O)[O-] |
| InChIKey | ZRCITYQEDACFLA-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that N-(5-chloro-2-methoxyphenyl)-2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-chloro-2-methoxyphenyl)-2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide. Following Lipinski's Rule of Five, N-(5-chloro-2-methoxyphenyl)-2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide has 1 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 N-(5-chloro-2-methoxyphenyl)-2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide is 1005587-38-1.
The molecular formula of N-(5-chloro-2-methoxyphenyl)-2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide is C20H19ClN4O4.
The molecular weight of N-(5-chloro-2-methoxyphenyl)-2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide is 414.1095 g/mol.
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