tert-Butyl 4-(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylate
TL;DR: tert-Butyl 4-(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylate (CAS 1005556-39-7) is a chemical compound with molecular formula C14H21BrN4O3 and molecular weight 372.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-(4-bromo-1-methylpyrazole-5-carbonyl)piperazine-1-carboxylate
Also Known As: tert-Butyl 4-(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylate, tert-butyl 4-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]piperazine-1-carboxylate, A1-75823, tert-butyl 4-(4-bromo-2-methylpyrazole-3-carbonyl)piperazine-1-carboxylate, 1-(1-ethyl-3-methylpyrazol-4-yl)-2,2-difluoroethan-1-one
| Molecular Formula | C14H21BrN4O3 |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 1.8755 |
| Topological Polar Surface Area | 67.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 372.0797 |
| Heavy Atoms | 22 |
| Complexity | 551.63336 |
Chemical Identifiers
| CAS Number | 1005556-39-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(C=NN2C)Br |
Product Overview
tert-Butyl 4-(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylate (CAS 1005556-39-7), with molecular formula C14H21BrN4O3 and molecular weight 372.08 g/mol. IUPAC: tert-butyl 4-(4-bromo-1-methylpyrazole-5-carbonyl)piperazine-1-carboxylate.
Chemical Property Profile of tert-Butyl 4-(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylate
Property Insights of tert-Butyl 4-(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylate
The XLogP value of 1.8755 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 4-(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylate. The TPSA of 67.67 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyl 4-(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, tert-Butyl 4-(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylate has 0 hydrogen bond donor(s) and 4 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-(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylate?
The CAS number of tert-Butyl 4-(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylate is 1005556-39-7.
What is the molecular formula of tert-Butyl 4-(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylate?
The molecular formula of tert-Butyl 4-(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylate is C14H21BrN4O3.
What is the molecular weight of tert-Butyl 4-(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylate?
The molecular weight of tert-Butyl 4-(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylate is 372.08 g/mol.
Where can I buy tert-Butyl 4-(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylate?
You can request a quote for tert-Butyl 4-(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)piperazine-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-(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 4-(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.