TL;DR: 4,4'-[(2-chlorophenyl)methanediyl]bis(3-methyl-1H-pyrazol-5-ol) (CAS 160088-89-1) is a chemical compound with molecular formula C15H15ClN4O2 and molecular weight 318.08835 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(2-chlorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
Also Known As: 4,4'-[(2-chlorophenyl)methanediyl]bis(3-methyl-1H-pyrazol-5-ol), 4,4'-((2-chlorophenyl)methylene)bis(3-methyl-1H-pyrazol-5-ol), 4,4'-[(2-chlorophenyl)methylene]bis(3-methyl-1H-pyrazol-5-ol), 4-[(2-chlorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
| Molecular Formula | C15H15ClN4O2 |
| Molecular Weight | 318.08835 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 82.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.08835 Da |
| Heavy Atoms | 22 |
| Complexity | 544.0 |
| SMILES | CC1=C(C(=O)NN1)C(C2=CC=CC=C2Cl)C3=C(NNC3=O)C |
| InChIKey | NYYIMASMORCCPX-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-[(2-chlorophenyl)methanediyl]bis(3-methyl-1H-pyrazol-5-ol). The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-[(2-chlorophenyl)methanediyl]bis(3-methyl-1H-pyrazol-5-ol). Following Lipinski's Rule of Five, 4,4'-[(2-chlorophenyl)methanediyl]bis(3-methyl-1H-pyrazol-5-ol) has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4,4'-[(2-chlorophenyl)methanediyl]bis(3-methyl-1H-pyrazol-5-ol) is 160088-89-1.
The molecular formula of 4,4'-[(2-chlorophenyl)methanediyl]bis(3-methyl-1H-pyrazol-5-ol) is C15H15ClN4O2.
The molecular weight of 4,4'-[(2-chlorophenyl)methanediyl]bis(3-methyl-1H-pyrazol-5-ol) is 318.08835 g/mol.
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