TL;DR: 3-{4-[(2-chlorobenzyl)oxy]phenyl}-N'-{(E)-[4-(diethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide (CAS 1285502-52-4) is a chemical compound with molecular formula C28H28ClN5O2 and molecular weight 501.19315 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-pyrazole-5-carboxamide
Also Known As: 3-{4-[(2-chlorobenzyl)oxy]phenyl}-N'-{(E)-[4-(diethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide, (E)-3-(4-((2-chlorobenzyl)oxy)phenyl)-N'-(4-(diethylamino)benzylidene)-1H-pyrazole-5-carbohydrazide, 3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-pyrazole-5-carboxamide, N-{(1E)-2-[4-(diethylamino)phenyl]-1-azavinyl}(3-{4-[(2-chlorophenyl)methoxy]p henyl}pyrazol-5-yl)carboxamide
| Molecular Formula | C28H28ClN5O2 |
| Molecular Weight | 501.19315 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 82.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 501.19315 Da |
| Heavy Atoms | 36 |
| Complexity | 689.0 |
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)OCC4=CC=CC=C4Cl |
| InChIKey | QSKYTUOTKNKXFX-UXHLAJHPSA-N |
The XLogP value of 6.1 indicates that 3-{4-[(2-chlorobenzyl)oxy]phenyl}-N'-{(E)-[4-(diethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{4-[(2-chlorobenzyl)oxy]phenyl}-N'-{(E)-[4-(diethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, 3-{4-[(2-chlorobenzyl)oxy]phenyl}-N'-{(E)-[4-(diethylamino)phenyl]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-[(2-chlorobenzyl)oxy]phenyl}-N'-{(E)-[4-(diethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide is 1285502-52-4.
The molecular formula of 3-{4-[(2-chlorobenzyl)oxy]phenyl}-N'-{(E)-[4-(diethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide is C28H28ClN5O2.
The molecular weight of 3-{4-[(2-chlorobenzyl)oxy]phenyl}-N'-{(E)-[4-(diethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide is 501.19315 g/mol.
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