TL;DR: 4-({3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-1-ethyl-1H-pyrazole-3-carboxamide (CAS 1005657-03-3) is a chemical compound with molecular formula C14H16ClF3N6O2 and molecular weight 392.09753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-3-carboxamide
Also Known As: 4-({3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-1-ethyl-1H-pyrazole-3-carboxamide, 4-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-3-carboxamide
| Molecular Formula | C14H16ClF3N6O2 |
| Molecular Weight | 392.09753 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.09753 Da |
| Heavy Atoms | 26 |
| Complexity | 537.0 |
| SMILES | CCN1C=C(C(=N1)C(=O)N)NC(=O)CCN2C(=C(C(=N2)C(F)(F)F)Cl)C |
| InChIKey | MUVLXMDAEBIZIQ-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-1-ethyl-1H-pyrazole-3-carboxamide. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-1-ethyl-1H-pyrazole-3-carboxamide. Following Lipinski's Rule of Five, 4-({3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-1-ethyl-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-({3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-1-ethyl-1H-pyrazole-3-carboxamide is 1005657-03-3.
The molecular formula of 4-({3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-1-ethyl-1H-pyrazole-3-carboxamide is C14H16ClF3N6O2.
The molecular weight of 4-({3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-1-ethyl-1H-pyrazole-3-carboxamide is 392.09753 g/mol.
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