TL;DR: 3-{2-[(4-chlorobenzyl)oxy]phenyl}-N'-[(E)-(4-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide (CAS 1285638-23-4) is a chemical compound with molecular formula C24H18ClN5O4 and molecular weight 475.10474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Also Known As: 3-{2-[(4-chlorobenzyl)oxy]phenyl}-N'-[(E)-(4-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide, (E)-3-(2-((4-chlorobenzyl)oxy)phenyl)-N'-(4-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide, 3-[2-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide, N-[(1E)-2-(4-nitrophenyl)-1-azavinyl](3-{2-[(4-chlorophenyl)methoxy]phenyl}pyr azol-5-yl)carboxamide
| Molecular Formula | C24H18ClN5O4 |
| Molecular Weight | 475.10474 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 475.10474 Da |
| Heavy Atoms | 34 |
| Complexity | 704.0 |
| SMILES | C1=CC=C(C(=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-])OCC4=CC=C(C=C4)Cl |
| InChIKey | XSNDHDQFSNJIKO-VULFUBBASA-N |
The XLogP value of 5.0 indicates that 3-{2-[(4-chlorobenzyl)oxy]phenyl}-N'-[(E)-(4-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{2-[(4-chlorobenzyl)oxy]phenyl}-N'-[(E)-(4-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, 3-{2-[(4-chlorobenzyl)oxy]phenyl}-N'-[(E)-(4-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-{2-[(4-chlorobenzyl)oxy]phenyl}-N'-[(E)-(4-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide is 1285638-23-4.
The molecular formula of 3-{2-[(4-chlorobenzyl)oxy]phenyl}-N'-[(E)-(4-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide is C24H18ClN5O4.
The molecular weight of 3-{2-[(4-chlorobenzyl)oxy]phenyl}-N'-[(E)-(4-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide is 475.10474 g/mol.
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