TL;DR: 3-{4-[(2-chlorobenzyl)oxy]phenyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide (CAS 1309676-23-0) is a chemical compound with molecular formula C25H20ClN5O4 and molecular weight 489.1204 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
Also Known As: 3-{4-[(2-chlorobenzyl)oxy]phenyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide, (Z)-3-(4-((2-chlorobenzyl)oxy)phenyl)-N'-(1-(4-nitrophenyl)ethylidene)-1H-pyrazole-5-carbohydrazide, 3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
| Molecular Formula | C25H20ClN5O4 |
| Molecular Weight | 489.1204 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.1204 Da |
| Heavy Atoms | 35 |
| Complexity | 747.0 |
| SMILES | C/C(=N/NC(=O)C1=CC(=NN1)C2=CC=C(C=C2)OCC3=CC=CC=C3Cl)/C4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | RMRRFLJETBTVGK-YUMHPJSZSA-N |
The XLogP value of 5.3 indicates that 3-{4-[(2-chlorobenzyl)oxy]phenyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]-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-{4-[(2-chlorobenzyl)oxy]phenyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, 3-{4-[(2-chlorobenzyl)oxy]phenyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-{4-[(2-chlorobenzyl)oxy]phenyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide is 1309676-23-0.
The molecular formula of 3-{4-[(2-chlorobenzyl)oxy]phenyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide is C25H20ClN5O4.
The molecular weight of 3-{4-[(2-chlorobenzyl)oxy]phenyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide is 489.1204 g/mol.
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