tert-butyl 4-(5-hydroxy-1H-pyrazol-3-yl)piperidine-1-carboxylate
TL;DR: tert-butyl 4-(5-hydroxy-1H-pyrazol-3-yl)piperidine-1-carboxylate (CAS 907985-64-2) is a chemical compound with molecular formula C13H21N3O3 and molecular weight 267.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-(5-oxo-1,2-dihydropyrazol-3-yl)piperidine-1-carboxylate
Also Known As: ChemDiv2_002999, tert-butyl 4-(5-hydroxy-1H-pyrazol-3-yl)piperidine-1-carboxylate, tert-butyl 4-(3-hydroxy-1H-pyrazol-5-yl)piperidine-1-carboxylate, tert-butyl 4-(5-oxo-1,2-dihydropyrazol-3-yl)piperidine-1-carboxylate, 4-(5-keto-3-pyrazolin-3-yl)piperidine-1-carboxylic acid tert-butyl ester
| Molecular Formula | C13H21N3O3 |
|---|---|
| Molecular Weight | 267.16 g/mol |
| LogP | 1.8175 |
| Topological Polar Surface Area | 78.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 267.1583 |
| Heavy Atoms | 19 |
| Complexity | 489.722 |
Chemical Identifiers
| CAS Number | 907985-64-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=O)NN2 |
Product Overview
tert-butyl 4-(5-hydroxy-1H-pyrazol-3-yl)piperidine-1-carboxylate (CAS 907985-64-2), with molecular formula C13H21N3O3 and molecular weight 267.16 g/mol. IUPAC: tert-butyl 4-(5-oxo-1,2-dihydropyrazol-3-yl)piperidine-1-carboxylate.
Chemical Property Profile of tert-butyl 4-(5-hydroxy-1H-pyrazol-3-yl)piperidine-1-carboxylate
Property Insights of tert-butyl 4-(5-hydroxy-1H-pyrazol-3-yl)piperidine-1-carboxylate
The XLogP value of 1.8175 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl 4-(5-hydroxy-1H-pyrazol-3-yl)piperidine-1-carboxylate. The TPSA of 78.19 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl 4-(5-hydroxy-1H-pyrazol-3-yl)piperidine-1-carboxylate. Following Lipinski's Rule of Five, tert-butyl 4-(5-hydroxy-1H-pyrazol-3-yl)piperidine-1-carboxylate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of tert-butyl 4-(5-hydroxy-1H-pyrazol-3-yl)piperidine-1-carboxylate?
The CAS number of tert-butyl 4-(5-hydroxy-1H-pyrazol-3-yl)piperidine-1-carboxylate is 907985-64-2.
What is the molecular formula of tert-butyl 4-(5-hydroxy-1H-pyrazol-3-yl)piperidine-1-carboxylate?
The molecular formula of tert-butyl 4-(5-hydroxy-1H-pyrazol-3-yl)piperidine-1-carboxylate is C13H21N3O3.
What is the molecular weight of tert-butyl 4-(5-hydroxy-1H-pyrazol-3-yl)piperidine-1-carboxylate?
The molecular weight of tert-butyl 4-(5-hydroxy-1H-pyrazol-3-yl)piperidine-1-carboxylate is 267.16 g/mol.
Where can I buy tert-butyl 4-(5-hydroxy-1H-pyrazol-3-yl)piperidine-1-carboxylate?
You can request a quote for tert-butyl 4-(5-hydroxy-1H-pyrazol-3-yl)piperidine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl 4-(5-hydroxy-1H-pyrazol-3-yl)piperidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl 4-(5-hydroxy-1H-pyrazol-3-yl)piperidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.