TL;DR: Piperidine, 1-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acetyl)- (CAS 125103-55-1) is a chemical compound with molecular formula C18H23N3O and molecular weight 297.1841 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-piperidin-1-ylethanone
Also Known As: Piperidine, 1-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acetyl)-, 1-((3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)acetyl)piperidine, 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-piperidin-1-ylethanone, Piperidine,1-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acetyl), 2-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)-1-(piperidin-1-yl)ethan-1-one
| Molecular Formula | C18H23N3O |
| Molecular Weight | 297.1841 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 38.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.1841 Da |
| Heavy Atoms | 22 |
| Complexity | 375.0 |
| SMILES | CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N3CCCCC3 |
| InChIKey | QMXMCOOQRLKKOW-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperidine, 1-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acetyl)-. With a topological polar surface area (TPSA) of 38.1 Ų, Piperidine, 1-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acetyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperidine, 1-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acetyl)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Piperidine, 1-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acetyl)- is 125103-55-1.
The molecular formula of Piperidine, 1-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acetyl)- is C18H23N3O.
The molecular weight of Piperidine, 1-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acetyl)- is 297.1841 g/mol.
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