TL;DR: 4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide (CAS 1005672-31-0) is a chemical compound with molecular formula C18H16Cl2N4O3 and molecular weight 406.05994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
Also Known As: 4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide, 4-[(2,4-DICHLOROBENZOYL)AMINO]-1-ETHYL-N-(2-FURYLMETHYL)-1H-PYRAZOLE-3-CARBOXAMIDE, 4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-(2-furylmethyl)pyrazole-3-carboxamide, 4-{[(2,4-dichlorophenyl)carbonyl]amino}-1-ethyl-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide
| Molecular Formula | C18H16Cl2N4O3 |
| Molecular Weight | 406.05994 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 89.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.05994 Da |
| Heavy Atoms | 27 |
| Complexity | 539.0 |
| SMILES | CCN1C=C(C(=N1)C(=O)NCC2=CC=CO2)NC(=O)C3=C(C=C(C=C3)Cl)Cl |
| InChIKey | TYNWWSDLSQVYCL-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide. Following Lipinski's Rule of Five, 4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide has 2 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 4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide is 1005672-31-0.
The molecular formula of 4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide is C18H16Cl2N4O3.
The molecular weight of 4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide is 406.05994 g/mol.
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