TL;DR: 2-(1-adamantyl)-N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide (CAS 492456-84-5) is a chemical compound with molecular formula C24H30ClN3O and molecular weight 411.20773 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-adamantyl)-N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
Also Known As: 2-(1-adamantyl)-N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetamide, 2-(1-adamantyl)-N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide, N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
| Molecular Formula | C24H30ClN3O |
| Molecular Weight | 411.20773 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 46.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.20773 Da |
| Heavy Atoms | 29 |
| Complexity | 584.0 |
| SMILES | CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)NC(=O)CC34CC5CC(C3)CC(C5)C4 |
| InChIKey | GMAZVJJVVKXVMP-UHFFFAOYSA-N |
The XLogP value of 5.8 indicates that 2-(1-adamantyl)-N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.9 Ų, 2-(1-adamantyl)-N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-adamantyl)-N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(1-adamantyl)-N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide is 492456-84-5.
The molecular formula of 2-(1-adamantyl)-N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide is C24H30ClN3O.
The molecular weight of 2-(1-adamantyl)-N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide is 411.20773 g/mol.
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