TL;DR: 4-chloro-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)pyrazole-3-carboxamide (CAS 1005700-01-5) is a chemical compound with molecular formula C15H16ClN5O2S and molecular weight 365.07132 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)pyrazole-3-carboxamide
Also Known As: 4-chloro-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)pyrazole-3-carboxamide, 4-chloro-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3(4H)-yl)-1H-pyrazole-3-carboxamide, 4-CHLORO-1-METHYL-N-[2-METHYL-4-OXO-6-PROPYLTHIENO[2,3-D]PYRIMIDIN-3(4H)-YL]-1H-PYRAZOLE-3-CARBOXAMIDE
| Molecular Formula | C15H16ClN5O2S |
| Molecular Weight | 365.07132 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.07132 Da |
| Heavy Atoms | 24 |
| Complexity | 560.0 |
| SMILES | CCCC1=CC2=C(S1)N=C(N(C2=O)NC(=O)C3=NN(C=C3Cl)C)C |
| InChIKey | VHMHIEPXKIHXHP-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)pyrazole-3-carboxamide. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)pyrazole-3-carboxamide. Following Lipinski's Rule of Five, 4-chloro-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)pyrazole-3-carboxamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-chloro-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)pyrazole-3-carboxamide is 1005700-01-5.
The molecular formula of 4-chloro-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)pyrazole-3-carboxamide is C15H16ClN5O2S.
The molecular weight of 4-chloro-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)pyrazole-3-carboxamide is 365.07132 g/mol.
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