TL;DR: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(5-chloropyridin-2-yl)-1H-pyrazole-3-carboxamide (CAS 1005646-65-0) is a chemical compound with molecular formula C18H16Cl2N4O2 and molecular weight 390.06503 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(5-chloro-2-pyridinyl)pyrazole-3-carboxamide
Also Known As: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(5-chloropyridin-2-yl)-1H-pyrazole-3-carboxamide, 1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-N-(5-chloropyridin-2-yl)pyrazole-3-carboxamide, 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(5-chloropyridin-2-yl)pyrazole-3-carboxamide, N-(5-chloro(2-pyridyl)){1-[(4-chloro-3,5-dimethylphenoxy)methyl]pyrazol-3-yl}c arboxamide, 1-[(4-Chloro-3,5-dimethylphenoxy)methyl]-N-(5-chloro-2-pyridinyl)-1H-pyrazole-3-carboxamide
| Molecular Formula | C18H16Cl2N4O2 |
| Molecular Weight | 390.06503 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.06503 Da |
| Heavy Atoms | 26 |
| Complexity | 472.0 |
| SMILES | CC1=CC(=CC(=C1Cl)C)OCN2C=CC(=N2)C(=O)NC3=NC=C(C=C3)Cl |
| InChIKey | CQLRASOPPBRGDG-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(5-chloropyridin-2-yl)-1H-pyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(5-chloropyridin-2-yl)-1H-pyrazole-3-carboxamide. Following Lipinski's Rule of Five, 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(5-chloropyridin-2-yl)-1H-pyrazole-3-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(5-chloropyridin-2-yl)-1H-pyrazole-3-carboxamide is 1005646-65-0.
The molecular formula of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(5-chloropyridin-2-yl)-1H-pyrazole-3-carboxamide is C18H16Cl2N4O2.
The molecular weight of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(5-chloropyridin-2-yl)-1H-pyrazole-3-carboxamide is 390.06503 g/mol.
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