TL;DR: 3-{4-[(2-chlorobenzyl)oxy]phenyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-1H-pyrazole-5-carbohydrazide (CAS 1284270-97-8) is a chemical compound with molecular formula C27H23ClN4O2 and molecular weight 470.15094 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)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
Also Known As: 3-{4-[(2-chlorobenzyl)oxy]phenyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-1H-pyrazole-5-carbohydrazide, (E)-3-(4-((2-chlorobenzyl)oxy)phenyl)-N'-((E)-2-methyl-3-phenylallylidene)-1H-pyrazole-5-carbohydrazide, N-((1E,3E)-3-methyl-4-phenyl-1-azabuta-1,3-dienyl)(3-{4-[(2-chlorophenyl)metho xy]phenyl}pyrazol-5-yl)carboxamide
| Molecular Formula | C27H23ClN4O2 |
| Molecular Weight | 470.15094 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 79.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 470.15094 Da |
| Heavy Atoms | 34 |
| Complexity | 701.0 |
| SMILES | C/C(=C\C1=CC=CC=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)OCC4=CC=CC=C4Cl |
| InChIKey | WBNFWSNJGKAXBF-RDHGSAAWSA-N |
The XLogP value of 6.0 indicates that 3-{4-[(2-chlorobenzyl)oxy]phenyl}-N'-[(1E,2E)-2-methyl-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-{4-[(2-chlorobenzyl)oxy]phenyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, 3-{4-[(2-chlorobenzyl)oxy]phenyl}-N'-[(1E,2E)-2-methyl-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-{4-[(2-chlorobenzyl)oxy]phenyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-1H-pyrazole-5-carbohydrazide is 1284270-97-8.
The molecular formula of 3-{4-[(2-chlorobenzyl)oxy]phenyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-1H-pyrazole-5-carbohydrazide is C27H23ClN4O2.
The molecular weight of 3-{4-[(2-chlorobenzyl)oxy]phenyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-1H-pyrazole-5-carbohydrazide is 470.15094 g/mol.
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