TL;DR: (E)-4-(((5-(3-chlorophenyl)furan-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide (CAS 1005605-84-4) is a chemical compound with molecular formula C21H17ClN4O3 and molecular weight 408.0989 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
Also Known As: (E)-4-(((5-(3-chlorophenyl)furan-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide, 4-({(E)-[5-(3-chlorophenyl)furan-2-yl]methylidene}amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide, 4-({(E)-1-[5-(3-CHLOROPHENYL)-2-FURYL]METHYLIDENE}AMINO)-N-(2-FURYLMETHYL)-1-METHYL-1H-PYRAZOLE-5-CARBOXAMIDE, 4-[[5-(3-chlorophenyl)-2-furyl]methylideneamino]-N-(2-furylmethyl)-2-methyl-pyrazole-3-carboxamide, 4-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(furan-2-ylmethyl)-2-methylpyrazole-3-carboxamide
| Molecular Formula | C21H17ClN4O3 |
| Molecular Weight | 408.0989 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 85.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.0989 Da |
| Heavy Atoms | 29 |
| Complexity | 592.0 |
| SMILES | CN1C(=C(C=N1)N=CC2=CC=C(O2)C3=CC(=CC=C3)Cl)C(=O)NCC4=CC=CO4 |
| InChIKey | SHMAWWCROQPBSP-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that (E)-4-(((5-(3-chlorophenyl)furan-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(((5-(3-chlorophenyl)furan-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide. Following Lipinski's Rule of Five, (E)-4-(((5-(3-chlorophenyl)furan-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-(3-chlorophenyl)furan-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide is 1005605-84-4.
The molecular formula of (E)-4-(((5-(3-chlorophenyl)furan-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide is C21H17ClN4O3.
The molecular weight of (E)-4-(((5-(3-chlorophenyl)furan-2-yl)methylene)amino)-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide is 408.0989 g/mol.
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