TL;DR: 5-Pyrimidinol, 2-[4-[4-(4-chloro-1H-pyrazol-1-yl)butyl]-1-piperazinyl]- (CAS 159493-79-5) is a chemical compound with molecular formula C15H21ClN6O and molecular weight 336.14655 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[4-(4-chloropyrazol-1-yl)butyl]piperazin-1-yl]pyrimidin-5-ol
Also Known As: 5-Pyrimidinol, 2-[4-[4-(4-chloro-1H-pyrazol-1-yl)butyl]-1-piperazinyl]-, 2-(4-(4-(4-Chloro-1H-pyrazol-1-yl)butyl)piperazin-1-yl)pyrimidin-5-ol, 2-[4-[4-(4-chloropyrazol-1-yl)butyl]piperazin-1-yl]pyrimidin-5-ol, 2-{4-[4-(4-Chloro-1H-pyrazol-1-yl)butyl]piperazin-1-yl}pyrimidin-5-ol, 2-{4-[4-(4-chloropyrazol-1-yl ) butyl]-1-piperazinyl}-5-hydroxypyrimidine
| Molecular Formula | C15H21ClN6O |
| Molecular Weight | 336.14655 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 70.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.14655 Da |
| Heavy Atoms | 23 |
| Complexity | 347.0 |
| SMILES | C1CN(CCN1CCCCN2C=C(C=N2)Cl)C3=NC=C(C=N3)O |
| InChIKey | OLZGFCCEHUGOFJ-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Pyrimidinol, 2-[4-[4-(4-chloro-1H-pyrazol-1-yl)butyl]-1-piperazinyl]-. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Pyrimidinol, 2-[4-[4-(4-chloro-1H-pyrazol-1-yl)butyl]-1-piperazinyl]-. Following Lipinski's Rule of Five, 5-Pyrimidinol, 2-[4-[4-(4-chloro-1H-pyrazol-1-yl)butyl]-1-piperazinyl]- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-Pyrimidinol, 2-[4-[4-(4-chloro-1H-pyrazol-1-yl)butyl]-1-piperazinyl]- is 159493-79-5.
The molecular formula of 5-Pyrimidinol, 2-[4-[4-(4-chloro-1H-pyrazol-1-yl)butyl]-1-piperazinyl]- is C15H21ClN6O.
The molecular weight of 5-Pyrimidinol, 2-[4-[4-(4-chloro-1H-pyrazol-1-yl)butyl]-1-piperazinyl]- is 336.14655 g/mol.
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