TL;DR: 2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(4-methoxy-2-methylphenyl)benzamide (CAS 1005700-26-4) is a chemical compound with molecular formula C21H22N4O4 and molecular weight 394.1641 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(4-methoxy-2-methylphenyl)benzamide
Also Known As: 2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(4-methoxy-2-methylphenyl)benzamide, 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(4-methoxy-2-methylphenyl)benzamide, 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(4-methoxy-2-methyl-phenyl)benzamide
| Molecular Formula | C21H22N4O4 |
| Molecular Weight | 394.1641 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.1641 Da |
| Heavy Atoms | 29 |
| Complexity | 584.0 |
| SMILES | CC1=C(C=CC(=C1)OC)NC(=O)C2=CC=CC=C2CN3C(=C(C(=N3)C)[N+](=O)[O-])C |
| InChIKey | OZNFGSQCSCPAMI-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(4-methoxy-2-methylphenyl)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 2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(4-methoxy-2-methylphenyl)benzamide. Following Lipinski's Rule of Five, 2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(4-methoxy-2-methylphenyl)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 2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(4-methoxy-2-methylphenyl)benzamide is 1005700-26-4.
The molecular formula of 2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(4-methoxy-2-methylphenyl)benzamide is C21H22N4O4.
The molecular weight of 2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(4-methoxy-2-methylphenyl)benzamide is 394.1641 g/mol.
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