TL;DR: 1H-Pyrazole, 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3,5-dimethyl- (CAS 106204-62-0) is a chemical compound with molecular formula C12H9Cl2F3N2 and molecular weight 308.0095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole
Also Known As: 2-amino-4trichloromethylpyridine, 1H-Pyrazole, 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3,5-dimethyl-, 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole, BRD-K58689556-001-01-2, 1-(2,6-Dichloro-4-trifluoromethylphenyl)-3,5-dimethylpyrazole
| Molecular Formula | C12H9Cl2F3N2 |
| Molecular Weight | 308.0095 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 308.0095 Da |
| Heavy Atoms | 19 |
| Complexity | 315.0 |
| SMILES | CC1=CC(=NN1C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)C |
| InChIKey | NWVMGWMIQCRKNB-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 1H-Pyrazole, 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3,5-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.8 Ų, 1H-Pyrazole, 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrazole, 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3,5-dimethyl- 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 1H-Pyrazole, 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3,5-dimethyl- is 106204-62-0.
The molecular formula of 1H-Pyrazole, 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3,5-dimethyl- is C12H9Cl2F3N2.
The molecular weight of 1H-Pyrazole, 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3,5-dimethyl- is 308.0095 g/mol.
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