TL;DR: 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(morpholin-4-yl)-1H-pyrazole-3-carboxamide (CAS 1005611-02-8) is a chemical compound with molecular formula C15H16BrClN4O3 and molecular weight 414.00943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2-bromo-4-chlorophenoxy)methyl]-N-morpholin-4-ylpyrazole-3-carboxamide
Also Known As: 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(morpholin-4-yl)-1H-pyrazole-3-carboxamide, 1-[(2-bromo-4-chlorophenoxy)methyl]-N-morpholin-4-ylpyrazole-3-carboxamide, 1-[(2-bromo-4-chloro-phenoxy)methyl]-N-morpholin-4-yl-pyrazole-3-carboxamide, 1-[(2-Bromo-4-chlorophenoxy)methyl]-N-4-morpholinyl-1H-pyrazole-3-carboxamide, 1-[(2-BROMO-4-CHLOROPHENOXY)METHYL]-N-MORPHOLINO-1H-PYRAZOLE-3-CARBOXAMIDE
| Molecular Formula | C15H16BrClN4O3 |
| Molecular Weight | 414.00943 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 68.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.00943 Da |
| Heavy Atoms | 24 |
| Complexity | 428.0 |
| SMILES | C1COCCN1NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)Cl)Br |
| InChIKey | VRKLKVQZRVAZTK-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(morpholin-4-yl)-1H-pyrazole-3-carboxamide. The TPSA of 68.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(morpholin-4-yl)-1H-pyrazole-3-carboxamide. Following Lipinski's Rule of Five, 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(morpholin-4-yl)-1H-pyrazole-3-carboxamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(morpholin-4-yl)-1H-pyrazole-3-carboxamide is 1005611-02-8.
The molecular formula of 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(morpholin-4-yl)-1H-pyrazole-3-carboxamide is C15H16BrClN4O3.
The molecular weight of 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(morpholin-4-yl)-1H-pyrazole-3-carboxamide is 414.00943 g/mol.
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