TL;DR: tert-butyl 4-[5-(2-thienyl)-1H-pyrazol-3-yl]tetrahydro-1(2H)-pyridinecarboxylate (CAS 1030617-10-7) is a chemical compound with molecular formula C17H23N3O2S and molecular weight 333.1511 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine-1-carboxylate
Also Known As: tert-butyl 4-[5-(2-thienyl)-1H-pyrazol-3-yl]tetrahydro-1(2H)-pyridinecarboxylate, tert-butyl 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine-1-carboxylate, 8X-0063, tert-butyl 4-[5-(thiophen-2-yl)-1H-pyrazol-3-yl]piperidine-1-carboxylate, tert-Butyl 4-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
| Molecular Formula | C17H23N3O2S |
| Molecular Weight | 333.1511 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 86.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.1511 Da |
| Heavy Atoms | 23 |
| Complexity | 419.0 |
| SMILES | CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=NN2)C3=CC=CS3 |
| InChIKey | USZUTVQFLPZXIC-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that tert-butyl 4-[5-(2-thienyl)-1H-pyrazol-3-yl]tetrahydro-1(2H)-pyridinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.5 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl 4-[5-(2-thienyl)-1H-pyrazol-3-yl]tetrahydro-1(2H)-pyridinecarboxylate. Following Lipinski's Rule of Five, tert-butyl 4-[5-(2-thienyl)-1H-pyrazol-3-yl]tetrahydro-1(2H)-pyridinecarboxylate has 1 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 4-[5-(2-thienyl)-1H-pyrazol-3-yl]tetrahydro-1(2H)-pyridinecarboxylate is 1030617-10-7.
The molecular formula of tert-butyl 4-[5-(2-thienyl)-1H-pyrazol-3-yl]tetrahydro-1(2H)-pyridinecarboxylate is C17H23N3O2S.
The molecular weight of tert-butyl 4-[5-(2-thienyl)-1H-pyrazol-3-yl]tetrahydro-1(2H)-pyridinecarboxylate is 333.1511 g/mol.
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