TL;DR: (4-chlorophenyl)-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone (CAS 1005693-64-0) is a chemical compound with molecular formula C18H23ClN4O and molecular weight 346.15604 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-chlorophenyl)-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
Also Known As: (4-chlorophenyl)-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone, (4-chlorophenyl)-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]methanone, (4-chlorophenyl){4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}methanone, (4-CHLOROPHENYL){4-[(1-ETHYL-5-METHYL-1H-PYRAZOL-4-YL)METHYL]PIPERAZINO}METHANONE
| Molecular Formula | C18H23ClN4O |
| Molecular Weight | 346.15604 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 41.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.15604 Da |
| Heavy Atoms | 24 |
| Complexity | 419.0 |
| SMILES | CCN1C(=C(C=N1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C |
| InChIKey | KAHHENRSLFGAMA-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-chlorophenyl)-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone. With a topological polar surface area (TPSA) of 41.4 Ų, (4-chlorophenyl)-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-chlorophenyl)-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone has 0 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 (4-chlorophenyl)-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone is 1005693-64-0.
The molecular formula of (4-chlorophenyl)-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone is C18H23ClN4O.
The molecular weight of (4-chlorophenyl)-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone is 346.15604 g/mol.
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