TL;DR: 1H-Pyrazole, 4,5-dihydro-5-(2-methoxyphenyl)-1-(3-pyridinylcarbonyl)- (CAS 121306-62-5) is a chemical compound with molecular formula C16H15N3O2 and molecular weight 281.11642 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
Also Known As: 1-(3-Pyridylcarbonyl)-5-(2-methoxyphenyl)-2-pyrazoline, 5-(2-Methoxyphenyl)-1-(3-pyridinylcarbonyl)-4,5-dihydro-1H-pyrazole, 1H-Pyrazole, 4,5-dihydro-5-(2-methoxyphenyl)-1-(3-pyridinylcarbonyl)-, [3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone, [5-(2-Methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl](pyridin-3-yl)methanone
| Molecular Formula | C16H15N3O2 |
| Molecular Weight | 281.11642 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.11642 Da |
| Heavy Atoms | 21 |
| Complexity | 399.0 |
| SMILES | COC1=CC=CC=C1C2CC=NN2C(=O)C3=CN=CC=C3 |
| InChIKey | RSYDSJSKTIGMSX-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole, 4,5-dihydro-5-(2-methoxyphenyl)-1-(3-pyridinylcarbonyl)-. With a topological polar surface area (TPSA) of 54.8 Ų, 1H-Pyrazole, 4,5-dihydro-5-(2-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-1-(3-pyridinylcarbonyl)- is 121306-62-5.
The molecular formula of 1H-Pyrazole, 4,5-dihydro-5-(2-methoxyphenyl)-1-(3-pyridinylcarbonyl)- is C16H15N3O2.
The molecular weight of 1H-Pyrazole, 4,5-dihydro-5-(2-methoxyphenyl)-1-(3-pyridinylcarbonyl)- is 281.11642 g/mol.
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