TL;DR: 4,4'-((4-Methoxyphenyl)methylene)bis(3-methyl-1h-pyrazol-5-ol) (CAS 1415920-70-5) is a chemical compound with molecular formula C16H18N4O3 and molecular weight 314.13788 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
Also Known As: J3.671.220A, 4,4'-((4-methoxyphenyl)methylene)bis(3-methyl-1h-pyrazol-5-ol), 4,4'-[(4-methoxyphenyl)methanediyl]bis(3-methyl-1H-pyrazol-5-ol), 4,4 -(4-Methoxybenzylidene)bis(3-methyl-1H-pyrazole-5-ol), 4,4'-[(4-methoxyphenyl)methylene]bis(3-methyl-1H-pyrazol-5-ol)
| Molecular Formula | C16H18N4O3 |
| Molecular Weight | 314.13788 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 91.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.13788 Da |
| Heavy Atoms | 23 |
| Complexity | 548.0 |
| SMILES | CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)OC)C3=C(NNC3=O)C |
| InChIKey | ZAMLMWHPLATMOH-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-((4-Methoxyphenyl)methylene)bis(3-methyl-1h-pyrazol-5-ol). The TPSA of 91.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-((4-Methoxyphenyl)methylene)bis(3-methyl-1h-pyrazol-5-ol). Following Lipinski's Rule of Five, 4,4'-((4-Methoxyphenyl)methylene)bis(3-methyl-1h-pyrazol-5-ol) has 4 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 4,4'-((4-Methoxyphenyl)methylene)bis(3-methyl-1h-pyrazol-5-ol) is 1415920-70-5.
The molecular formula of 4,4'-((4-Methoxyphenyl)methylene)bis(3-methyl-1h-pyrazol-5-ol) is C16H18N4O3.
The molecular weight of 4,4'-((4-Methoxyphenyl)methylene)bis(3-methyl-1h-pyrazol-5-ol) is 314.13788 g/mol.
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