2-{4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide
TL;DR: 2-{4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide (CAS 353455-18-2) is a chemical compound with molecular formula C6H7BrN4O3 and molecular weight 261.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide
Also Known As: BAS 00398163, 2-{4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide, 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide, 2-(4-Bromo-5-methyl-3-nitro-pyrazol-1-yl)-acetamide, 2-(4-bromo-5-methyl-3-nitropyrazolyl)acetamide
| Molecular Formula | C6H7BrN4O3 |
|---|---|
| Molecular Weight | 261.97 g/mol |
| LogP | 0.34752 |
| Topological Polar Surface Area | 104.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.97015 |
| Heavy Atoms | 14 |
| Complexity | 400.02603 |
Chemical Identifiers
| CAS Number | 353455-18-2 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)N)[N+](=O)[O-])Br |
Product Overview
2-{4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide (CAS 353455-18-2), with molecular formula C6H7BrN4O3 and molecular weight 261.97 g/mol. IUPAC: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide.
Chemical Property Profile of 2-{4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide
Property Insights of 2-{4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide
The XLogP value of 0.34752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide. The TPSA of 104.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide. Following Lipinski's Rule of Five, 2-{4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide has 1 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 2-{4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide?
The CAS number of 2-{4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide is 353455-18-2.
What is the molecular formula of 2-{4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide?
The molecular formula of 2-{4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide is C6H7BrN4O3.
What is the molecular weight of 2-{4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide?
The molecular weight of 2-{4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide is 261.97 g/mol.
Where can I buy 2-{4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide?
You can request a quote for 2-{4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.