TL;DR: 4-({2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-1-ethyl-N-methyl-1H-pyrazole-3-carboxamide (CAS 1005674-41-8) is a chemical compound with molecular formula C15H18BrF3N6O2 and molecular weight 450.06268 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide
Also Known As: 4-({2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-1-ethyl-N-methyl-1H-pyrazole-3-carboxamide, 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide
| Molecular Formula | C15H18BrF3N6O2 |
| Molecular Weight | 450.06268 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 93.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.06268 Da |
| Heavy Atoms | 27 |
| Complexity | 566.0 |
| SMILES | CCN1C=C(C(=N1)C(=O)NC)NC(=O)C(C)N2C(=C(C(=N2)C(F)(F)F)Br)C |
| InChIKey | JOQVMNKDYOLQBG-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-1-ethyl-N-methyl-1H-pyrazole-3-carboxamide. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-1-ethyl-N-methyl-1H-pyrazole-3-carboxamide. Following Lipinski's Rule of Five, 4-({2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-1-ethyl-N-methyl-1H-pyrazole-3-carboxamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-({2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-1-ethyl-N-methyl-1H-pyrazole-3-carboxamide is 1005674-41-8.
The molecular formula of 4-({2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-1-ethyl-N-methyl-1H-pyrazole-3-carboxamide is C15H18BrF3N6O2.
The molecular weight of 4-({2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-1-ethyl-N-methyl-1H-pyrazole-3-carboxamide is 450.06268 g/mol.
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