TL;DR: N-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-[(4-ethylphenoxy)methyl]benzamide (CAS 1005667-28-6) is a chemical compound with molecular formula C23H26BrN3O2 and molecular weight 455.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-[(4-ethylphenoxy)methyl]benzamide
Also Known As: N-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-[(4-ethylphenoxy)methyl]benzamide, N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-[(4-ethylphenoxy)methyl]benzamide, N-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-[(4-ethylphenoxy)methyl]benzamide
| Molecular Formula | C23H26BrN3O2 |
| Molecular Weight | 455.12085 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 56.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.12085 Da |
| Heavy Atoms | 29 |
| Complexity | 504.0 |
| SMILES | CCC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NCCN3C(=C(C(=N3)C)Br)C |
| InChIKey | BVFLHAIAIUTDJO-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that N-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-[(4-ethylphenoxy)methyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.2 Ų, N-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-[(4-ethylphenoxy)methyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-[(4-ethylphenoxy)methyl]benzamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-[(4-ethylphenoxy)methyl]benzamide is 1005667-28-6.
The molecular formula of N-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-[(4-ethylphenoxy)methyl]benzamide is C23H26BrN3O2.
The molecular weight of N-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-[(4-ethylphenoxy)methyl]benzamide is 455.12085 g/mol.
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