TL;DR: 4-[2-(4-fluorophenoxy)ethyl]-3,5-dimethyl-1H-pyrazole (CAS 1038990-11-2) is a chemical compound with molecular formula C13H15FN2O and molecular weight 234.11684 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-(4-fluorophenoxy)ethyl]-3,5-dimethyl-1H-pyrazole
Also Known As: 4-[2-(4-fluorophenoxy)ethyl]-3,5-dimethyl-1H-pyrazole, 4-(2-(4-Fluorophenoxy)ethyl)-3,5-dimethyl-1h-pyrazole, 4-2-(4-fluorophenoxy)ethyl-3,5-dimethyl-1H-pyrazole, 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl 4-fluorophenyl ether
| Molecular Formula | C13H15FN2O |
| Molecular Weight | 234.11684 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 37.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.11684 Da |
| Heavy Atoms | 17 |
| Complexity | 231.0 |
| SMILES | CC1=C(C(=NN1)C)CCOC2=CC=C(C=C2)F |
| InChIKey | HFRIXTTWAJCZAJ-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 4-[2-(4-fluorophenoxy)ethyl]-3,5-dimethyl-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.9 Ų, 4-[2-(4-fluorophenoxy)ethyl]-3,5-dimethyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[2-(4-fluorophenoxy)ethyl]-3,5-dimethyl-1H-pyrazole has 1 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 4-[2-(4-fluorophenoxy)ethyl]-3,5-dimethyl-1H-pyrazole is 1038990-11-2.
The molecular formula of 4-[2-(4-fluorophenoxy)ethyl]-3,5-dimethyl-1H-pyrazole is C13H15FN2O.
The molecular weight of 4-[2-(4-fluorophenoxy)ethyl]-3,5-dimethyl-1H-pyrazole is 234.11684 g/mol.
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