TL;DR: tert-Butyl 3-hydroxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate (CAS 152559-30-3) is a chemical compound with molecular formula C11H17N3O3 and molecular weight 239.127 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 3-oxo-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-5-carboxylate
Also Known As: tert-Butyl 3-hydroxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate, TERT-BUTYL 3-HYDROXY-6,7-DIHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINE-5(4H)-CARBOXYLATE, 3-Oxo-1,2,3,4,6,7-hexahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester, s11775, tert-butyl 3-oxo-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-5-carboxylate
| Molecular Formula | C11H17N3O3 |
| Molecular Weight | 239.127 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.127 Da |
| Heavy Atoms | 17 |
| Complexity | 395.0 |
| SMILES | CC(C)(C)OC(=O)N1CCC2=C(C1)C(=O)NN2 |
| InChIKey | DTLXVAXCKABFRY-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 3-hydroxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyl 3-hydroxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate. Following Lipinski's Rule of Five, tert-Butyl 3-hydroxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate has 2 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 tert-Butyl 3-hydroxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate is 152559-30-3.
The molecular formula of tert-Butyl 3-hydroxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate is C11H17N3O3.
The molecular weight of tert-Butyl 3-hydroxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate is 239.127 g/mol.
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