TL;DR: 2-[6-(4-Pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone (CAS 1004186-14-4) is a chemical compound with molecular formula C19H19N5OS and molecular weight 365.13104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone
Also Known As: 2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone, F2564-0172, 2-((6-(4-(1H-pyrazol-1-yl)phenyl)pyridazin-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone, 2-({6-[4-(1H-pyrazol-1-yl)phenyl]pyridazin-3-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one
| Molecular Formula | C19H19N5OS |
| Molecular Weight | 365.13104 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.13104 Da |
| Heavy Atoms | 26 |
| Complexity | 465.0 |
| SMILES | C1CCN(C1)C(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4C=CC=N4 |
| InChIKey | NBAOJCFDRSPWBC-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[6-(4-Pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[6-(4-Pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone. Following Lipinski's Rule of Five, 2-[6-(4-Pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone has 0 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 2-[6-(4-Pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone is 1004186-14-4.
The molecular formula of 2-[6-(4-Pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone is C19H19N5OS.
The molecular weight of 2-[6-(4-Pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone is 365.13104 g/mol.
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