TL;DR: N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide (CAS 1005581-82-7) is a chemical compound with molecular formula C13H12F2N4O2S and molecular weight 326.0649 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide
Also Known As: N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide, N-(2-carbamoyl-4-thiabicyclo[3.3.0]octa-2,9-dien-3-yl)-1-(difluoromethyl)pyrazole-3-carboxamide, N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(difluoromethyl)-1H-pyrazole-3-carboxamide, N-[3-(aminocarbonyl)-5,6-dihydro-4H-cyclopenta[b]thien-2-yl]-1-(difluoromethyl)-1H-pyrazole-3-carboxamide, N-[3-(AMINOCARBONYL)-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHEN-2-YL]-1-(DIFLUOROMETHYL)-1H-PYRAZOLE-3-CARBOXAMIDE
| Molecular Formula | C13H12F2N4O2S |
| Molecular Weight | 326.0649 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.0649 Da |
| Heavy Atoms | 22 |
| Complexity | 467.0 |
| SMILES | C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=NN(C=C3)C(F)F |
| InChIKey | WMAOSVSXEFDWSB-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide. Following Lipinski's Rule of Five, N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(difluoromethyl)pyrazole-3-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-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide is 1005581-82-7.
The molecular formula of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide is C13H12F2N4O2S.
The molecular weight of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide is 326.0649 g/mol.
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