TL;DR: 3-{3-[(4-chlorobenzyl)oxy]phenyl}-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]-1H-pyrazole-5-carbohydrazide (CAS 1285633-00-2) is a chemical compound with molecular formula C26H21ClN4O2 and molecular weight 456.1353 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
Also Known As: 3-{3-[(4-chlorobenzyl)oxy]phenyl}-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]-1H-pyrazole-5-carbohydrazide, 3-(3-((4-CL-BENZYL)OXY)PH)N'-(3-PH-2-PROPENYLIDENE)-1H-PYRAZOLE-5-CARBOHYDRAZIDE, 5-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(cinnamylideneamino)-2H-pyrazole-3-carboxamide, (E)-3-(3-((4-chlorobenzyl)oxy)phenyl)-N'-((E)-3-phenylallylidene)-1H-pyrazole-5-carbohydrazide, 3-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
| Molecular Formula | C26H21ClN4O2 |
| Molecular Weight | 456.1353 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 79.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 456.1353 Da |
| Heavy Atoms | 33 |
| Complexity | 659.0 |
| SMILES | C1=CC=C(C=C1)/C=C/C=N/NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)OCC4=CC=C(C=C4)Cl |
| InChIKey | RPXPDOCJGUHQJQ-OZEOTOAESA-N |
The XLogP value of 5.6 indicates that 3-{3-[(4-chlorobenzyl)oxy]phenyl}-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]-1H-pyrazole-5-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{3-[(4-chlorobenzyl)oxy]phenyl}-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, 3-{3-[(4-chlorobenzyl)oxy]phenyl}-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]-1H-pyrazole-5-carbohydrazide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-{3-[(4-chlorobenzyl)oxy]phenyl}-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]-1H-pyrazole-5-carbohydrazide is 1285633-00-2.
The molecular formula of 3-{3-[(4-chlorobenzyl)oxy]phenyl}-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]-1H-pyrazole-5-carbohydrazide is C26H21ClN4O2.
The molecular weight of 3-{3-[(4-chlorobenzyl)oxy]phenyl}-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]-1H-pyrazole-5-carbohydrazide is 456.1353 g/mol.
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