TL;DR: 1-(4-chlorophenyl)-3-[1-(2-thienylcarbonyl)-1H-pyrazol-3-yl]-4(1H)-pyridazinone (CAS 318498-06-5) is a chemical compound with molecular formula C18H11ClN4O2S and molecular weight 382.0291 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)-3-[1-(thiophene-2-carbonyl)pyrazol-3-yl]pyridazin-4-one
Also Known As: Bionet1_002862, 1-(4-chlorophenyl)-3-[1-(2-thienylcarbonyl)-1H-pyrazol-3-yl]-4(1H)-pyridazinone, 5M-934, 1-(4-chlorophenyl)-3-[1-(thiophene-2-carbonyl)pyrazol-3-yl]pyridazin-4-one, 1-(4-chlorophenyl)-3-[1-(thiophene-2-carbonyl)-1H-pyrazol-3-yl]-1,4-dihydropyridazin-4-one
| Molecular Formula | C18H11ClN4O2S |
| Molecular Weight | 382.0291 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 95.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.0291 Da |
| Heavy Atoms | 26 |
| Complexity | 633.0 |
| SMILES | C1=CSC(=C1)C(=O)N2C=CC(=N2)C3=NN(C=CC3=O)C4=CC=C(C=C4)Cl |
| InChIKey | AKFFITJUQYNAFZ-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 1-(4-chlorophenyl)-3-[1-(2-thienylcarbonyl)-1H-pyrazol-3-yl]-4(1H)-pyridazinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorophenyl)-3-[1-(2-thienylcarbonyl)-1H-pyrazol-3-yl]-4(1H)-pyridazinone. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-3-[1-(2-thienylcarbonyl)-1H-pyrazol-3-yl]-4(1H)-pyridazinone has 0 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 1-(4-chlorophenyl)-3-[1-(2-thienylcarbonyl)-1H-pyrazol-3-yl]-4(1H)-pyridazinone is 318498-06-5.
The molecular formula of 1-(4-chlorophenyl)-3-[1-(2-thienylcarbonyl)-1H-pyrazol-3-yl]-4(1H)-pyridazinone is C18H11ClN4O2S.
The molecular weight of 1-(4-chlorophenyl)-3-[1-(2-thienylcarbonyl)-1H-pyrazol-3-yl]-4(1H)-pyridazinone is 382.0291 g/mol.
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