TL;DR: 1-Phenyl-1'-(2-hydroxyethyl)-3,3'-dimethyl-5-hydroxy[4,5']-bipyrazol (CAS 245039-44-5) is a chemical compound with molecular formula C16H18N4O2 and molecular weight 298.14297 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-5-methyl-2-phenyl-1H-pyrazol-3-one
Also Known As: 1-Phenyl-1'-(2-hydroxyethyl)-3,3'-dimethyl-5-hydroxy[4,5']-bipyrazol, 10E-944, 2-(2-hydroxyethyl)-5,5'-dimethyl-2'-phenyl-2H,2'H-[3,4'-bipyrazole]-3'-ol, 4-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-5-methyl-2-phenyl-1H-pyrazol-3-one, (4E)-4-[2-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-ylidene]-5-methyl-2-phenylpyrazol-3-one
| Molecular Formula | C16H18N4O2 |
| Molecular Weight | 298.14297 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 70.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.14297 Da |
| Heavy Atoms | 22 |
| Complexity | 459.0 |
| SMILES | CC1=NN(C(=C1)C2=C(NN(C2=O)C3=CC=CC=C3)C)CCO |
| InChIKey | BVZYDNKKPFPMJH-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-1'-(2-hydroxyethyl)-3,3'-dimethyl-5-hydroxy[4,5']-bipyrazol. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenyl-1'-(2-hydroxyethyl)-3,3'-dimethyl-5-hydroxy[4,5']-bipyrazol. Following Lipinski's Rule of Five, 1-Phenyl-1'-(2-hydroxyethyl)-3,3'-dimethyl-5-hydroxy[4,5']-bipyrazol has 2 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 1-Phenyl-1'-(2-hydroxyethyl)-3,3'-dimethyl-5-hydroxy[4,5']-bipyrazol is 245039-44-5.
The molecular formula of 1-Phenyl-1'-(2-hydroxyethyl)-3,3'-dimethyl-5-hydroxy[4,5']-bipyrazol is C16H18N4O2.
The molecular weight of 1-Phenyl-1'-(2-hydroxyethyl)-3,3'-dimethyl-5-hydroxy[4,5']-bipyrazol is 298.14297 g/mol.
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