TL;DR: (E)-4-(((5-bromothiophen-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide (CAS 1005621-19-1) is a chemical compound with molecular formula C15H13BrN4O2S and molecular weight 391.99426 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(5-bromothiophen-2-yl)methylideneamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
Also Known As: (E)-4-(((5-bromothiophen-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide, {4-[(1E)-2-(5-bromo(2-thienyl))-1-azavinyl]-1-methylpyrazol-5-yl}-N-(2-furylme thyl)carboxamide, 4-[(5-bromothiophen-2-yl)methylideneamino]-N-(2-furylmethyl)-2-methyl-pyrazole-3-carboxamide, 4-[(5-bromothiophen-2-yl)methylideneamino]-N-(furan-2-ylmethyl)-2-methylpyrazole-3-carboxamide, 4-{[(E)-(5-bromothiophen-2-yl)methylidene]amino}-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide
| Molecular Formula | C15H13BrN4O2S |
| Molecular Weight | 391.99426 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.99426 Da |
| Heavy Atoms | 23 |
| Complexity | 453.0 |
| SMILES | CN1C(=C(C=N1)N=CC2=CC=C(S2)Br)C(=O)NCC3=CC=CO3 |
| InChIKey | CURJVTNDMNRHGK-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-(((5-bromothiophen-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(((5-bromothiophen-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide. Following Lipinski's Rule of Five, (E)-4-(((5-bromothiophen-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-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 (E)-4-(((5-bromothiophen-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide is 1005621-19-1.
The molecular formula of (E)-4-(((5-bromothiophen-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide is C15H13BrN4O2S.
The molecular weight of (E)-4-(((5-bromothiophen-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide is 391.99426 g/mol.
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