TL;DR: 4-[[5-[(2-bromophenoxy)methyl]furan-2-carbonyl]amino]-1-methylpyrazole-3-carboxamide (CAS 1005648-01-0) is a chemical compound with molecular formula C17H15BrN4O4 and molecular weight 418.02768 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[5-[(2-bromophenoxy)methyl]furan-2-carbonyl]amino]-1-methylpyrazole-3-carboxamide
Also Known As: 4-[[5-[(2-bromophenoxy)methyl]furan-2-carbonyl]amino]-1-methylpyrazole-3-carboxamide, 4-[[5-[(2-bromophenoxy)methyl]furan-2-carbonyl]amino]-1-methyl-pyrazole-3-carboxamide, 4-[({5-[(2-BROMOPHENOXY)METHYL]-2-FURYL}CARBONYL)AMINO]-1-METHYL-1H-PYRAZOLE-3-CARBOXAMIDE, 4-[({5-[(2-bromophenoxy)methyl]furan-2-yl}carbonyl)amino]-1-methyl-1H-pyrazole-3-carboxamide
| Molecular Formula | C17H15BrN4O4 |
| Molecular Weight | 418.02768 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.02768 Da |
| Heavy Atoms | 26 |
| Complexity | 523.0 |
| SMILES | CN1C=C(C(=N1)C(=O)N)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3Br |
| InChIKey | QULZJJDFDPSLHB-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[5-[(2-bromophenoxy)methyl]furan-2-carbonyl]amino]-1-methylpyrazole-3-carboxamide. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[5-[(2-bromophenoxy)methyl]furan-2-carbonyl]amino]-1-methylpyrazole-3-carboxamide. Following Lipinski's Rule of Five, 4-[[5-[(2-bromophenoxy)methyl]furan-2-carbonyl]amino]-1-methylpyrazole-3-carboxamide has 2 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 4-[[5-[(2-bromophenoxy)methyl]furan-2-carbonyl]amino]-1-methylpyrazole-3-carboxamide is 1005648-01-0.
The molecular formula of 4-[[5-[(2-bromophenoxy)methyl]furan-2-carbonyl]amino]-1-methylpyrazole-3-carboxamide is C17H15BrN4O4.
The molecular weight of 4-[[5-[(2-bromophenoxy)methyl]furan-2-carbonyl]amino]-1-methylpyrazole-3-carboxamide is 418.02768 g/mol.
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