TL;DR: 2-methyl-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one (CAS 1005595-69-6) is a chemical compound with molecular formula C19H22F3N3O and molecular weight 365.1715 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
Also Known As: 2-methyl-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one, 2-methyl-1-(8-methyl-3,4-dihydroquinolin-1(2H)-yl)-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propan-1-one, 2-METHYL-1-[8-METHYL-3,4-DIHYDRO-1(2H)-QUINOLINYL]-3-[5-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]-1-PROPANONE
| Molecular Formula | C19H22F3N3O |
| Molecular Weight | 365.1715 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 38.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.1715 Da |
| Heavy Atoms | 26 |
| Complexity | 513.0 |
| SMILES | CC1=C2C(=CC=C1)CCCN2C(=O)C(C)CN3C(=CC(=N3)C(F)(F)F)C |
| InChIKey | MNVJEYMCRGDNQJ-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 2-methyl-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.1 Ų, 2-methyl-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-methyl-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one is 1005595-69-6.
The molecular formula of 2-methyl-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one is C19H22F3N3O.
The molecular weight of 2-methyl-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one is 365.1715 g/mol.
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