TL;DR: N-(5-bromopyridin-2-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide (CAS 1005702-89-5) is a chemical compound with molecular formula C16H12BrN5O4 and molecular weight 417.00726 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(5-bromo-2-pyridinyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide
Also Known As: N-(5-bromopyridin-2-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide, N-(5-bromo(2-pyridyl)){1-[(2-nitrophenoxy)methyl]pyrazol-3-yl}carboxamide, N-(5-BROMO-2-PYRIDYL)-1-[(2-NITROPHENOXY)METHYL]-1H-PYRAZOLE-3-CARBOXAMIDE, N-(5-bromopyridin-2-yl)-1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide
| Molecular Formula | C16H12BrN5O4 |
| Molecular Weight | 417.00726 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.00726 Da |
| Heavy Atoms | 26 |
| Complexity | 506.0 |
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])OCN2C=CC(=N2)C(=O)NC3=NC=C(C=C3)Br |
| InChIKey | BEJZJLJEGFBJJW-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-bromopyridin-2-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-bromopyridin-2-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide. Following Lipinski's Rule of Five, N-(5-bromopyridin-2-yl)-1-[(2-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-nitrophenoxy)methyl]pyrazole-3-carboxamide is 1005702-89-5.
The molecular formula of N-(5-bromopyridin-2-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide is C16H12BrN5O4.
The molecular weight of N-(5-bromopyridin-2-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide is 417.00726 g/mol.
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