TL;DR: 3-{3-[(4-chlorobenzyl)oxy]phenyl}-N'-[(E)-(2,4-dichlorophenyl)methylidene]-1H-pyrazole-5-carbohydrazide (CAS 1309664-29-6) is a chemical compound with molecular formula C24H17Cl3N4O2 and molecular weight 498.04172 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Also Known As: 3-{3-[(4-chlorobenzyl)oxy]phenyl}-N'-[(E)-(2,4-dichlorophenyl)methylidene]-1H-pyrazole-5-carbohydrazide, 3(3-((4-CL-BENZYL)OXY)PH)N'-(2,4-DI-CL-BENZYLIDENE)-1H-PYRAZOLE-5-CARBOHYDRAZIDE, (E)-3-(3-((4-chlorobenzyl)oxy)phenyl)-N'-(2,4-dichlorobenzylidene)-1H-pyrazole-5-carbohydrazide, 3-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
| Molecular Formula | C24H17Cl3N4O2 |
| Molecular Weight | 498.04172 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 79.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.04172 Da |
| Heavy Atoms | 33 |
| Complexity | 662.0 |
| SMILES | C1=CC(=CC(=C1)OCC2=CC=C(C=C2)Cl)C3=NNC(=C3)C(=O)N/N=C/C4=C(C=C(C=C4)Cl)Cl |
| InChIKey | BLVAAWPDSGEPPK-XODNFHPESA-N |
The XLogP value of 6.5 indicates that 3-{3-[(4-chlorobenzyl)oxy]phenyl}-N'-[(E)-(2,4-dichlorophenyl)methylidene]-1H-pyrazole-5-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{3-[(4-chlorobenzyl)oxy]phenyl}-N'-[(E)-(2,4-dichlorophenyl)methylidene]-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, 3-{3-[(4-chlorobenzyl)oxy]phenyl}-N'-[(E)-(2,4-dichlorophenyl)methylidene]-1H-pyrazole-5-carbohydrazide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-{3-[(4-chlorobenzyl)oxy]phenyl}-N'-[(E)-(2,4-dichlorophenyl)methylidene]-1H-pyrazole-5-carbohydrazide is 1309664-29-6.
The molecular formula of 3-{3-[(4-chlorobenzyl)oxy]phenyl}-N'-[(E)-(2,4-dichlorophenyl)methylidene]-1H-pyrazole-5-carbohydrazide is C24H17Cl3N4O2.
The molecular weight of 3-{3-[(4-chlorobenzyl)oxy]phenyl}-N'-[(E)-(2,4-dichlorophenyl)methylidene]-1H-pyrazole-5-carbohydrazide is 498.04172 g/mol.
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