TL;DR: 3-{2-[(4-methylbenzyl)oxy]phenyl}-N'-[(E)-pyridin-2-ylmethylidene]-1H-pyrazole-5-carbohydrazide (CAS 1285502-90-0) is a chemical compound with molecular formula C24H21N5O2 and molecular weight 411.16953 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-[(4-methylphenyl)methoxy]phenyl]-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Also Known As: 3-{2-[(4-methylbenzyl)oxy]phenyl}-N'-[(E)-pyridin-2-ylmethylidene]-1H-pyrazole-5-carbohydrazide, (E)-3-(2-((4-methylbenzyl)oxy)phenyl)-N'-(pyridin-2-ylmethylene)-1H-pyrazole-5-carbohydrazide, 3-[2-[(4-methylphenyl)methoxy]phenyl]-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide, N-((1E)-2-(2-pyridyl)-1-azavinyl)(3-{2-[(4-methylphenyl)methoxy]phenyl}pyrazol -5-yl)carboxamide
| Molecular Formula | C24H21N5O2 |
| Molecular Weight | 411.16953 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 92.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.16953 Da |
| Heavy Atoms | 31 |
| Complexity | 593.0 |
| SMILES | CC1=CC=C(C=C1)COC2=CC=CC=C2C3=NNC(=C3)C(=O)N/N=C/C4=CC=CC=N4 |
| InChIKey | QNKXVFBEPYSYRJ-CVKSISIWSA-N |
The XLogP value of 4.2 indicates that 3-{2-[(4-methylbenzyl)oxy]phenyl}-N'-[(E)-pyridin-2-ylmethylidene]-1H-pyrazole-5-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{2-[(4-methylbenzyl)oxy]phenyl}-N'-[(E)-pyridin-2-ylmethylidene]-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, 3-{2-[(4-methylbenzyl)oxy]phenyl}-N'-[(E)-pyridin-2-ylmethylidene]-1H-pyrazole-5-carbohydrazide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-{2-[(4-methylbenzyl)oxy]phenyl}-N'-[(E)-pyridin-2-ylmethylidene]-1H-pyrazole-5-carbohydrazide is 1285502-90-0.
The molecular formula of 3-{2-[(4-methylbenzyl)oxy]phenyl}-N'-[(E)-pyridin-2-ylmethylidene]-1H-pyrazole-5-carbohydrazide is C24H21N5O2.
The molecular weight of 3-{2-[(4-methylbenzyl)oxy]phenyl}-N'-[(E)-pyridin-2-ylmethylidene]-1H-pyrazole-5-carbohydrazide is 411.16953 g/mol.
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