TL;DR: 4-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-ol (CAS 109483-05-8) is a chemical compound with molecular formula C9H12N4O2 and molecular weight 208.09602 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one
Also Known As: 4,4'-methanediylbis(5-methyl-1H-pyrazol-3-ol), 4,4'-methylenebis(3-methyl-1H-pyrazol-5(4H)-one), 4-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-ol, 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one
| Molecular Formula | C9H12N4O2 |
| Molecular Weight | 208.09602 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 82.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.09602 Da |
| Heavy Atoms | 15 |
| Complexity | 370.0 |
| SMILES | CC1=C(C(=O)NN1)CC2=C(NNC2=O)C |
| InChIKey | IQMMKBKMISGXIY-UHFFFAOYSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-ol. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-ol. Following Lipinski's Rule of Five, 4-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-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-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-ol is 109483-05-8.
The molecular formula of 4-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-ol is C9H12N4O2.
The molecular weight of 4-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-ol is 208.09602 g/mol.
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