2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromophenyl)acetamide
TL;DR: 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromophenyl)acetamide (CAS 1039011-06-7) is a chemical compound with molecular formula C20H18BrN7OS and molecular weight 483.0477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-amino-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)acetamide
Also Known As: 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromophenyl)acetamide, 2-({4-amino-5-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-bromophenyl)acetamide, 2-[[4-amino-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)acetamide, 2-{4-amino-5-[3-(4-methylphenyl)pyrazol-5-yl](1,2,4-triazol-3-ylthio)}-N-(4-br omophenyl)acetamide
Technical Specifications
| Molecular Formula | C20H18BrN7OS |
| Molecular Weight | 483.0477 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.0477 Da |
| Heavy Atoms | 30 |
| Complexity | 571.0 |
| SMILES | CC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)NC4=CC=C(C=C4)Br |
| InChIKey | XWXACCAOHQGJNK-UHFFFAOYSA-N |
Chemical Property Profile of 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromophenyl)acetamide
Property Insights of 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromophenyl)acetamide
The XLogP value of 3.6 indicates that 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromophenyl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromophenyl)acetamide has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromophenyl)acetamide?
The CAS number of 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromophenyl)acetamide is 1039011-06-7.
What is the molecular formula of 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromophenyl)acetamide?
The molecular formula of 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromophenyl)acetamide is C20H18BrN7OS.
What is the molecular weight of 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromophenyl)acetamide?
The molecular weight of 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromophenyl)acetamide is 483.0477 g/mol.
Where can I buy 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromophenyl)acetamide?
You can request a quote for 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromophenyl)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromophenyl)acetamide?
Yes, CoreyChem provides custom synthesis services for 2-((4-amino-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.