3-(4-bromopyrazol-1-yl)-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide
TL;DR: 3-(4-bromopyrazol-1-yl)-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide (CAS 1005681-74-2) is a chemical compound with molecular formula C13H12BrFN4O3 and molecular weight 370.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromopyrazol-1-yl)-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide
Also Known As: 3-(4-bromo-1H-pyrazol-1-yl)-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide, 3-(4-bromopyrazol-1-yl)-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide, 3-(4-bromopyrazol-1-yl)-N-(4-fluoro-3-nitro-phenyl)-2-methyl-propanamide
| Molecular Formula | C13H12BrFN4O3 |
|---|---|
| Molecular Weight | 370.01 g/mol |
| LogP | 2.9677 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.0077 |
| Heavy Atoms | 22 |
| Complexity | 719.0608 |
Chemical Identifiers
| CAS Number | 1005681-74-2 |
|---|---|
| SMILES | CC(CN1C=C(C=N1)Br)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-] |
Product Overview
3-(4-bromopyrazol-1-yl)-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide (CAS 1005681-74-2), with molecular formula C13H12BrFN4O3 and molecular weight 370.01 g/mol. IUPAC: 3-(4-bromopyrazol-1-yl)-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide.
Chemical Property Profile of 3-(4-bromopyrazol-1-yl)-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide
Property Insights of 3-(4-bromopyrazol-1-yl)-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide
The XLogP value of 2.9677 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-bromopyrazol-1-yl)-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-bromopyrazol-1-yl)-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide. Following Lipinski's Rule of Five, 3-(4-bromopyrazol-1-yl)-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide 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 3-(4-bromopyrazol-1-yl)-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide?
The CAS number of 3-(4-bromopyrazol-1-yl)-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide is 1005681-74-2.
What is the molecular formula of 3-(4-bromopyrazol-1-yl)-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide?
The molecular formula of 3-(4-bromopyrazol-1-yl)-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide is C13H12BrFN4O3.
What is the molecular weight of 3-(4-bromopyrazol-1-yl)-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide?
The molecular weight of 3-(4-bromopyrazol-1-yl)-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide is 370.01 g/mol.
Where can I buy 3-(4-bromopyrazol-1-yl)-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide?
You can request a quote for 3-(4-bromopyrazol-1-yl)-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-bromopyrazol-1-yl)-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-bromopyrazol-1-yl)-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.