TL;DR: N-(5-bromopyridin-2-yl)-1-[(2-chloro-4-nitrophenoxy)methyl]pyrazole-3-carboxamide (CAS 1005633-81-7) is a chemical compound with molecular formula C16H11BrClN5O4 and molecular weight 450.9683 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(5-bromo-2-pyridinyl)-1-[(2-chloro-4-nitrophenoxy)methyl]pyrazole-3-carboxamide
Also Known As: N-(5-bromopyridin-2-yl)-1-[(2-chloro-4-nitrophenoxy)methyl]pyrazole-3-carboxamide, N-(5-bromopyridin-2-yl)-1-[(2-chloro-4-nitro-phenoxy)methyl]pyrazole-3-carboxamide, N-(5-bromopyridin-2-yl)-1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide, N-(5-BROMO-2-PYRIDYL)-1-[(2-CHLORO-4-NITROPHENOXY)METHYL]-1H-PYRAZOLE-3-CARBOXAMIDE
| Molecular Formula | C16H11BrClN5O4 |
| Molecular Weight | 450.9683 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.9683 Da |
| Heavy Atoms | 27 |
| Complexity | 539.0 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)OCN2C=CC(=N2)C(=O)NC3=NC=C(C=C3)Br |
| InChIKey | GUIAMDPAEVDWGA-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that N-(5-bromopyridin-2-yl)-1-[(2-chloro-4-nitrophenoxy)methyl]pyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-bromopyridin-2-yl)-1-[(2-chloro-4-nitrophenoxy)methyl]pyrazole-3-carboxamide. Following Lipinski's Rule of Five, N-(5-bromopyridin-2-yl)-1-[(2-chloro-4-nitrophenoxy)methyl]pyrazole-3-carboxamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(5-bromopyridin-2-yl)-1-[(2-chloro-4-nitrophenoxy)methyl]pyrazole-3-carboxamide is 1005633-81-7.
The molecular formula of N-(5-bromopyridin-2-yl)-1-[(2-chloro-4-nitrophenoxy)methyl]pyrazole-3-carboxamide is C16H11BrClN5O4.
The molecular weight of N-(5-bromopyridin-2-yl)-1-[(2-chloro-4-nitrophenoxy)methyl]pyrazole-3-carboxamide is 450.9683 g/mol.
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