TL;DR: (Z)-4-((2,6-dimethylmorpholino)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one (CAS 1164556-42-6) 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.
(4Z)-4-[(2,6-dimethylmorpholin-4-yl)methylidene]-5-methyl-2-phenylpyrazol-3-one
Also Known As: F1201-0330, (Z)-4-((2,6-dimethylmorpholino)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one, (4Z)-4-[(2,6-dimethylmorpholin-4-yl)methylidene]-5-methyl-2-phenylpyrazol-3-one, (4Z)-4-[(2,6-dimethylmorpholin-4-yl)methylidene]-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one, 4-[(2,6-dimethyl-4-morpholinyl)methylene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C17H21N3O2 |
| Molecular Weight | 299.1634 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 45.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.1634 Da |
| Heavy Atoms | 22 |
| Complexity | 484.0 |
| SMILES | CC1CN(CC(O1)C)/C=C\2/C(=NN(C2=O)C3=CC=CC=C3)C |
| InChIKey | KJYZBASWFCQAEB-WJDWOHSUSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-4-((2,6-dimethylmorpholino)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one. With a topological polar surface area (TPSA) of 45.1 Ų, (Z)-4-((2,6-dimethylmorpholino)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-4-((2,6-dimethylmorpholino)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (Z)-4-((2,6-dimethylmorpholino)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one is 1164556-42-6.
The molecular formula of (Z)-4-((2,6-dimethylmorpholino)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one is C17H21N3O2.
The molecular weight of (Z)-4-((2,6-dimethylmorpholino)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one is 299.1634 g/mol.
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