TL;DR: 4-[(4-bromopyrazol-1-yl)methyl]-N-phenylmethoxybenzamide (CAS 1005688-01-6) is a chemical compound with molecular formula C18H16BrN3O2 and molecular weight 385.0426 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-bromopyrazol-1-yl)methyl]-N-phenylmethoxybenzamide
Also Known As: 4-[(4-bromopyrazol-1-yl)methyl]-N-phenylmethoxybenzamide, N-(benzyloxy)-4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzamide, 4-[(4-bromopyrazol-1-yl)methyl]-N-phenylmethoxy-benzamide
| Molecular Formula | C18H16BrN3O2 |
| Molecular Weight | 385.0426 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 56.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.0426 Da |
| Heavy Atoms | 24 |
| Complexity | 396.0 |
| SMILES | C1=CC=C(C=C1)CONC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Br |
| InChIKey | GRBSPSRHEBSBEE-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 4-[(4-bromopyrazol-1-yl)methyl]-N-phenylmethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.2 Ų, 4-[(4-bromopyrazol-1-yl)methyl]-N-phenylmethoxybenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(4-bromopyrazol-1-yl)methyl]-N-phenylmethoxybenzamide 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 4-[(4-bromopyrazol-1-yl)methyl]-N-phenylmethoxybenzamide is 1005688-01-6.
The molecular formula of 4-[(4-bromopyrazol-1-yl)methyl]-N-phenylmethoxybenzamide is C18H16BrN3O2.
The molecular weight of 4-[(4-bromopyrazol-1-yl)methyl]-N-phenylmethoxybenzamide is 385.0426 g/mol.
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