TL;DR: N-(2-aminoethyl)-1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (CAS 1001519-28-3) is a chemical compound with molecular formula C9H13F3N4O and molecular weight 250.10414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-aminoethyl)-1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
Also Known As: N-(2-aminoethyl)-1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide, N-(2-aminoethyl)-2-ethyl-5-(trifluoromethyl)pyrazole-3-carboxamide, 2-Ethyl-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid (2-amino-ethyl)-amide, 2-Ethyl-5-trifluoromethyl-2 H -pyrazole-3-carboxylic acid (2-amino-ethyl)-amide, N-(2-aminoethyl)[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]carboxamide
| Molecular Formula | C9H13F3N4O |
| Molecular Weight | 250.10414 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 72.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.10414 Da |
| Heavy Atoms | 17 |
| Complexity | 271.0 |
| SMILES | CCN1C(=CC(=N1)C(F)(F)F)C(=O)NCCN |
| InChIKey | ABLMJWNYBRWDHV-UHFFFAOYSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-aminoethyl)-1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-aminoethyl)-1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide. Following Lipinski's Rule of Five, N-(2-aminoethyl)-1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(2-aminoethyl)-1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide is 1001519-28-3.
The molecular formula of N-(2-aminoethyl)-1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide is C9H13F3N4O.
The molecular weight of N-(2-aminoethyl)-1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide is 250.10414 g/mol.
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