TL;DR: ETHYL 4,5-DIMETHYL-2-({[1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL]CARBONYL}AMINO)-3-THIOPHENECARBOXYLATE (CAS 1005616-68-1) is a chemical compound with molecular formula C15H16F3N3O3S and molecular weight 375.08646 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4,5-dimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate
Also Known As: ETHYL 4,5-DIMETHYL-2-({[1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL]CARBONYL}AMINO)-3-THIOPHENECARBOXYLATE, ethyl 4,5-dimethyl-2-({[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)thiophene-3-carboxylate, ethyl 4,5-dimethyl-2-(1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamido)thiophene-3-carboxylate, ethyl 4,5-dimethyl-2-[[2-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate
| Molecular Formula | C15H16F3N3O3S |
| Molecular Weight | 375.08646 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.08646 Da |
| Heavy Atoms | 25 |
| Complexity | 520.0 |
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC(=NN2C)C(F)(F)F |
| InChIKey | KLDVJEKXAZPDLO-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that ETHYL 4,5-DIMETHYL-2-({[1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL]CARBONYL}AMINO)-3-THIOPHENECARBOXYLATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ETHYL 4,5-DIMETHYL-2-({[1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL]CARBONYL}AMINO)-3-THIOPHENECARBOXYLATE. Following Lipinski's Rule of Five, ETHYL 4,5-DIMETHYL-2-({[1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL]CARBONYL}AMINO)-3-THIOPHENECARBOXYLATE has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ETHYL 4,5-DIMETHYL-2-({[1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL]CARBONYL}AMINO)-3-THIOPHENECARBOXYLATE is 1005616-68-1.
The molecular formula of ETHYL 4,5-DIMETHYL-2-({[1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL]CARBONYL}AMINO)-3-THIOPHENECARBOXYLATE is C15H16F3N3O3S.
The molecular weight of ETHYL 4,5-DIMETHYL-2-({[1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL]CARBONYL}AMINO)-3-THIOPHENECARBOXYLATE is 375.08646 g/mol.
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