TL;DR: 3-(2,6-Dichlorostyryl)-1H-Pyrazole (CAS 1204318-68-2) is a chemical compound with molecular formula C11H8Cl2N2 and molecular weight 238.00645 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole
Also Known As: 3-(2,6-Dichlorostyryl)-1H-Pyrazole, JoB`HFvDQtQdTTRbjbSC[pDPsRPHB`, (e)-3-(2,6-dichlorostyryl)-1h-pyrazole, 5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole, 5-[(E)-2-(2,6-dichlorophenyl)vinyl]-1H-pyrazole
| Molecular Formula | C11H8Cl2N2 |
| Molecular Weight | 238.00645 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.00645 Da |
| Heavy Atoms | 15 |
| Complexity | 223.0 |
| SMILES | C1=CC(=C(C(=C1)Cl)/C=C/C2=CC=NN2)Cl |
| InChIKey | WTLCERBYPIMJNW-SNAWJCMRSA-N |
The XLogP value of 3.8 indicates that 3-(2,6-Dichlorostyryl)-1H-Pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.7 Ų, 3-(2,6-Dichlorostyryl)-1H-Pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,6-Dichlorostyryl)-1H-Pyrazole has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(2,6-Dichlorostyryl)-1H-Pyrazole is 1204318-68-2.
The molecular formula of 3-(2,6-Dichlorostyryl)-1H-Pyrazole is C11H8Cl2N2.
The molecular weight of 3-(2,6-Dichlorostyryl)-1H-Pyrazole is 238.00645 g/mol.
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