TL;DR: [4-[(1,5-Dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone (CAS 1005610-23-0) is a chemical compound with molecular formula C18H24N4O and molecular weight 312.195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone
Also Known As: [4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone|{4-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}(3-methylphenyl)methanone|STL390352
| Molecular Formula | C18H24N4O |
| Molecular Weight | 312.195 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 41.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.195 Da |
| Heavy Atoms | 23 |
| Complexity | 408.0 |
| SMILES | CC1=CC(=CC=C1)C(=O)N2CCN(CC2)CC3=C(N(N=C3)C)C |
| InChIKey | AIWLMRQADGNFKQ-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-[(1,5-Dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone. With a topological polar surface area (TPSA) of 41.4 Ų, [4-[(1,5-Dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-[(1,5-Dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(3-methylphenyl)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-[(1,5-Dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone is 1005610-23-0.
The molecular formula of [4-[(1,5-Dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone is C18H24N4O.
The molecular weight of [4-[(1,5-Dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone is 312.195 g/mol.
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