TL;DR: 3-{4-[(4-chlorobenzyl)oxy]phenyl}-N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-1H-pyrazole-5-carbohydrazide (CAS 1310360-62-3) is a chemical compound with molecular formula C29H25ClN6O2 and molecular weight 524.1727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-pyrazole-5-carboxamide
Also Known As: 3-{4-[(4-chlorobenzyl)oxy]phenyl}-N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-1H-pyrazole-5-carbohydrazide, (E)-3-(4-((4-chlorobenzyl)oxy)phenyl)-N'-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene)-1H-pyrazole-5-carbohydrazide, 3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-pyrazole-5-carboxamide
| Molecular Formula | C29H25ClN6O2 |
| Molecular Weight | 524.1727 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 97.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 524.1727 Da |
| Heavy Atoms | 38 |
| Complexity | 779.0 |
| SMILES | CC1=C(C(=NN1C2=CC=CC=C2)C)/C=N/NC(=O)C3=CC(=NN3)C4=CC=C(C=C4)OCC5=CC=C(C=C5)Cl |
| InChIKey | YRRLTOGDRXDXMH-KBVAKVRCSA-N |
The XLogP value of 6.0 indicates that 3-{4-[(4-chlorobenzyl)oxy]phenyl}-N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-1H-pyrazole-5-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{4-[(4-chlorobenzyl)oxy]phenyl}-N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, 3-{4-[(4-chlorobenzyl)oxy]phenyl}-N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-1H-pyrazole-5-carbohydrazide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-{4-[(4-chlorobenzyl)oxy]phenyl}-N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-1H-pyrazole-5-carbohydrazide is 1310360-62-3.
The molecular formula of 3-{4-[(4-chlorobenzyl)oxy]phenyl}-N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-1H-pyrazole-5-carbohydrazide is C29H25ClN6O2.
The molecular weight of 3-{4-[(4-chlorobenzyl)oxy]phenyl}-N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-1H-pyrazole-5-carbohydrazide is 524.1727 g/mol.
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