TL;DR: Morpholine, 4-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acetyl)- (CAS 125103-54-0) is a chemical compound with molecular formula C17H21N3O2 and molecular weight 299.1634 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-morpholin-4-ylethanone
Also Known As: Morpholine, 4-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acetyl)-, 4-((3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)acetyl)morpholine, 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-morpholin-4-ylethanone, 2-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)-1-(morpholin-4-yl)ethan-1-one, BRN 4199671
| Molecular Formula | C17H21N3O2 |
| Molecular Weight | 299.1634 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 47.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.1634 Da |
| Heavy Atoms | 22 |
| Complexity | 378.0 |
| SMILES | CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N3CCOCC3 |
| InChIKey | AQLNDHIFSLDIDK-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Morpholine, 4-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acetyl)-. With a topological polar surface area (TPSA) of 47.4 Ų, Morpholine, 4-((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, Morpholine, 4-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acetyl)- 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 Morpholine, 4-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acetyl)- is 125103-54-0.
The molecular formula of Morpholine, 4-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acetyl)- is C17H21N3O2.
The molecular weight of Morpholine, 4-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acetyl)- is 299.1634 g/mol.
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