![N-[[3-[(4-Bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]methylene]-3-(difluoromethyl)-5-(methylthio)-4H-1,2,4-triazol-4-amine structure](/static/products/1005/1005631-57-1.webp)
N-[[3-[(4-Bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]methylene]-3-(difluoromethyl)-5-(methylthio)-4H-1,2,4-triazol-4-amine
TL;DR: N-[[3-[(4-Bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]methylene]-3-(difluoromethyl)-5-(methylthio)-4H-1,2,4-triazol-4-amine (CAS 1005631-57-1) is a chemical compound with molecular formula C16H15BrF2N6OS and molecular weight 456.01794 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-[(4-bromopyrazol-1-yl)methyl]-4-methoxyphenyl]-N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]methanimine
Also Known As: N-[[3-[(4-Bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]methylene]-3-(difluoromethyl)-5-(methylthio)-4H-1,2,4-triazol-4-amine, 1-[3-[(4-bromopyrazol-1-yl)methyl]-4-methoxyphenyl]-N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]methanimine
Technical Specifications
| Molecular Formula | C16H15BrF2N6OS |
| Molecular Weight | 456.01794 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 95.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.01794 Da |
| Heavy Atoms | 27 |
| Complexity | 508.0 |
| SMILES | COC1=C(C=C(C=C1)C=NN2C(=NN=C2SC)C(F)F)CN3C=C(C=N3)Br |
| InChIKey | FJKFFBCYMNVGGY-UHFFFAOYSA-N |
Chemical Property Profile of N-[[3-[(4-Bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]methylene]-3-(difluoromethyl)-5-(methylthio)-4H-1,2,4-triazol-4-amine
Property Insights of N-[[3-[(4-Bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]methylene]-3-(difluoromethyl)-5-(methylthio)-4H-1,2,4-triazol-4-amine
The XLogP value of 3.2 indicates that N-[[3-[(4-Bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]methylene]-3-(difluoromethyl)-5-(methylthio)-4H-1,2,4-triazol-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[3-[(4-Bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]methylene]-3-(difluoromethyl)-5-(methylthio)-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, N-[[3-[(4-Bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]methylene]-3-(difluoromethyl)-5-(methylthio)-4H-1,2,4-triazol-4-amine has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-[[3-[(4-Bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]methylene]-3-(difluoromethyl)-5-(methylthio)-4H-1,2,4-triazol-4-amine?
The CAS number of N-[[3-[(4-Bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]methylene]-3-(difluoromethyl)-5-(methylthio)-4H-1,2,4-triazol-4-amine is 1005631-57-1.
What is the molecular formula of N-[[3-[(4-Bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]methylene]-3-(difluoromethyl)-5-(methylthio)-4H-1,2,4-triazol-4-amine?
The molecular formula of N-[[3-[(4-Bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]methylene]-3-(difluoromethyl)-5-(methylthio)-4H-1,2,4-triazol-4-amine is C16H15BrF2N6OS.
What is the molecular weight of N-[[3-[(4-Bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]methylene]-3-(difluoromethyl)-5-(methylthio)-4H-1,2,4-triazol-4-amine?
The molecular weight of N-[[3-[(4-Bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]methylene]-3-(difluoromethyl)-5-(methylthio)-4H-1,2,4-triazol-4-amine is 456.01794 g/mol.
Where can I buy N-[[3-[(4-Bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]methylene]-3-(difluoromethyl)-5-(methylthio)-4H-1,2,4-triazol-4-amine?
You can request a quote for N-[[3-[(4-Bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]methylene]-3-(difluoromethyl)-5-(methylthio)-4H-1,2,4-triazol-4-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-[[3-[(4-Bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]methylene]-3-(difluoromethyl)-5-(methylthio)-4H-1,2,4-triazol-4-amine?
Yes, CoreyChem provides custom synthesis services for N-[[3-[(4-Bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]methylene]-3-(difluoromethyl)-5-(methylthio)-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.