TL;DR: 4-[3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]-1,5-dimethyl-2-phenylpyrazol-3-one (CAS 24428-77-1) is a chemical compound with molecular formula C21H20N2O3 and molecular weight 348.1474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: 4-(2-(p-Anisoyl)vinyl)antipyrine
| Molecular Formula | C21H20N2O3 |
| Molecular Weight | 348.1474 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.1474 Da |
| Heavy Atoms | 26 |
| Complexity | 596.0 |
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=CC(=O)C3=CC=C(C=C3)OC |
| InChIKey | MYXOHXABBFTCNK-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]-1,5-dimethyl-2-phenylpyrazol-3-one. With a topological polar surface area (TPSA) of 49.9 Ų, 4-[3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]-1,5-dimethyl-2-phenylpyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]-1,5-dimethyl-2-phenylpyrazol-3-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 4-[3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]-1,5-dimethyl-2-phenylpyrazol-3-one is 24428-77-1.
The molecular formula of 4-[3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]-1,5-dimethyl-2-phenylpyrazol-3-one is C21H20N2O3.
The molecular weight of 4-[3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]-1,5-dimethyl-2-phenylpyrazol-3-one is 348.1474 g/mol.
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