TL;DR: 3-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-N'-[(E)-(3-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide (CAS 1285639-15-7) is a chemical compound with molecular formula C26H23N5O5 and molecular weight 485.16992 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-[(E)-(3-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Also Known As: 3-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-N'-[(E)-(3-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide, (E)-3-(3-methoxy-4-((4-methylbenzyl)oxy)phenyl)-N'-(3-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide, 3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-[(E)-(3-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide, N-[(1E)-2-(3-nitrophenyl)-1-azavinyl](3-{3-methoxy-4-[(4-methylphenyl)methoxy] phenyl}pyrazol-5-yl)carboxamide
| Molecular Formula | C26H23N5O5 |
| Molecular Weight | 485.16992 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.16992 Da |
| Heavy Atoms | 36 |
| Complexity | 753.0 |
| SMILES | CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=NNC(=C3)C(=O)N/N=C/C4=CC(=CC=C4)[N+](=O)[O-])OC |
| InChIKey | CLWUHMYHJPGBED-JFLMPSFJSA-N |
The XLogP value of 4.8 indicates that 3-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-N'-[(E)-(3-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-N'-[(E)-(3-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, 3-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-N'-[(E)-(3-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-N'-[(E)-(3-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide is 1285639-15-7.
The molecular formula of 3-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-N'-[(E)-(3-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide is C26H23N5O5.
The molecular weight of 3-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-N'-[(E)-(3-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide is 485.16992 g/mol.
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