TL;DR: 1H-Pyrazole, 4,5-dihydro-5-(2-furanyl)-1-(3-pyridinylcarbonyl)- (CAS 1213234-89-9) is a chemical compound with molecular formula C13H11N3O2 and molecular weight 241.08513 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
Also Known As: 1-(3-Pyridylcarbonyl)-5-(2-furyl)-2-pyrazoline, 1H-Pyrazole, 4,5-dihydro-5-(2-furanyl)-1-(3-pyridinylcarbonyl)-, 5-(2-Furanyl)-1-(3-pyridinylcarbonyl)-4,5-dihydro-1H-pyrazole, Methyl 2-ethynyl-1,3-thiazole-5-carboxylate, [3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
| Molecular Formula | C13H11N3O2 |
| Molecular Weight | 241.08513 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 58.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.08513 Da |
| Heavy Atoms | 18 |
| Complexity | 345.0 |
| SMILES | C1C=NN(C1C2=CC=CO2)C(=O)C3=CN=CC=C3 |
| InChIKey | LLVYEYIQEXJSCQ-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole, 4,5-dihydro-5-(2-furanyl)-1-(3-pyridinylcarbonyl)-. With a topological polar surface area (TPSA) of 58.7 Ų, 1H-Pyrazole, 4,5-dihydro-5-(2-furanyl)-1-(3-pyridinylcarbonyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrazole, 4,5-dihydro-5-(2-furanyl)-1-(3-pyridinylcarbonyl)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Pyrazole, 4,5-dihydro-5-(2-furanyl)-1-(3-pyridinylcarbonyl)- is 1213234-89-9.
The molecular formula of 1H-Pyrazole, 4,5-dihydro-5-(2-furanyl)-1-(3-pyridinylcarbonyl)- is C13H11N3O2.
The molecular weight of 1H-Pyrazole, 4,5-dihydro-5-(2-furanyl)-1-(3-pyridinylcarbonyl)- is 241.08513 g/mol.
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