TL;DR: 1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine (CAS 1004195-30-5) is a chemical compound with molecular formula C12H22N4 and molecular weight 222.18445 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazine
Also Known As: 1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine, 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazine, 7159AC, 1-[(1-ethyl-3,5-dimethyl-1h-pyrazol-4-yl)methyl]-piperazine, 1-(1-ethyl-3,5-dimethyl-1 h-pyrazol-4-ylmethyl)-piperazine
| Molecular Formula | C12H22N4 |
| Molecular Weight | 222.18445 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.18445 Da |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
| SMILES | CCN1C(=C(C(=N1)C)CN2CCNCC2)C |
| InChIKey | KCZKNOAHLBHRNC-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine. With a topological polar surface area (TPSA) of 33.1 Ų, 1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine is 1004195-30-5.
The molecular formula of 1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine is C12H22N4.
The molecular weight of 1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine is 222.18445 g/mol.
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