TL;DR: 2-Propen-1-one, 1-(2,4-dichlorophenyl)-2-(1H-pyrazol-1-yl)- (CAS 104941-07-3) is a chemical compound with molecular formula C12H8Cl2N2O and molecular weight 266.00137 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,4-dichlorophenyl)-2-pyrazol-1-ylprop-2-en-1-one
Also Known As: 2-Propen-1-one, 1-(2,4-dichlorophenyl)-2-(1H-pyrazol-1-yl)-, 1-(2,4-dichlorophenyl)-2-pyrazol-1-ylprop-2-en-1-one, 1-(2,4-dichlorophenyl)-2-pyrazol-1-yl-prop-2-en-1-one, 1-(2,4-Dichlorophenyl)-2-(1H-pyrazol-1-yl)prop-2-en-1-one, 1-(2,4-DICHLOROPHENYL)-2-(1H-PYRAZOL-1-YL)-2-PROPEN-1-ONE
| Molecular Formula | C12H8Cl2N2O |
| Molecular Weight | 266.00137 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.00137 Da |
| Heavy Atoms | 17 |
| Complexity | 322.0 |
| SMILES | C=C(C(=O)C1=C(C=C(C=C1)Cl)Cl)N2C=CC=N2 |
| InChIKey | SJXUIXZVMPSQON-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 2-Propen-1-one, 1-(2,4-dichlorophenyl)-2-(1H-pyrazol-1-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.9 Ų, 2-Propen-1-one, 1-(2,4-dichlorophenyl)-2-(1H-pyrazol-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propen-1-one, 1-(2,4-dichlorophenyl)-2-(1H-pyrazol-1-yl)- 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 2-Propen-1-one, 1-(2,4-dichlorophenyl)-2-(1H-pyrazol-1-yl)- is 104941-07-3.
The molecular formula of 2-Propen-1-one, 1-(2,4-dichlorophenyl)-2-(1H-pyrazol-1-yl)- is C12H8Cl2N2O.
The molecular weight of 2-Propen-1-one, 1-(2,4-dichlorophenyl)-2-(1H-pyrazol-1-yl)- is 266.00137 g/mol.
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