TL;DR: 5-[2-(4-Chloro-3,5-dimethyl-pyrazol-1-yl)-ethyl]-2H-tetrazole (CAS 1005566-25-5) is a chemical compound with molecular formula C8H11ClN6 and molecular weight 226.07338 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2H-tetrazole
Also Known As: 5-[2-(4-Chloro-3,5-dimethyl-pyrazol-1-yl)-ethyl]-2H-tetrazole, 5-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2H-1,2,3,4-tetrazole, 5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2H-tetrazole, 5-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)ethyl]-2H-tetrazole, 5-(2-(4-Chloro-3,5-dimethyl-1h-pyrazol-1-yl)ethyl)-2h-tetrazole
| Molecular Formula | C8H11ClN6 |
| Molecular Weight | 226.07338 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 72.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.07338 Da |
| Heavy Atoms | 15 |
| Complexity | 215.0 |
| SMILES | CC1=C(C(=NN1CCC2=NNN=N2)C)Cl |
| InChIKey | NXVJJURZKZSPDJ-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[2-(4-Chloro-3,5-dimethyl-pyrazol-1-yl)-ethyl]-2H-tetrazole. The TPSA of 72.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[2-(4-Chloro-3,5-dimethyl-pyrazol-1-yl)-ethyl]-2H-tetrazole. Following Lipinski's Rule of Five, 5-[2-(4-Chloro-3,5-dimethyl-pyrazol-1-yl)-ethyl]-2H-tetrazole has 1 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 5-[2-(4-Chloro-3,5-dimethyl-pyrazol-1-yl)-ethyl]-2H-tetrazole is 1005566-25-5.
The molecular formula of 5-[2-(4-Chloro-3,5-dimethyl-pyrazol-1-yl)-ethyl]-2H-tetrazole is C8H11ClN6.
The molecular weight of 5-[2-(4-Chloro-3,5-dimethyl-pyrazol-1-yl)-ethyl]-2H-tetrazole is 226.07338 g/mol.
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