![3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione structure](/static/products/1005/1005606-56-3.webp)
3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione
TL;DR: 3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione (CAS 1005606-56-3) is a chemical compound with molecular formula C21H19F4N7S and molecular weight 477.13586 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione
Also Known As: 3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione, 5-{2-[5-CYCLOPROPYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]ETHYL}-4-[1-(2-FLUOROBENZYL)-1H-PYRAZOL-3-YL]-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE, 5-{2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-4-[1-(2-fluorobenzyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazole-3-thiol, 5-{2-[5-cyclopropyl-3-(trifluoromethyl)pyrazolyl]ethyl}-4-{1-[(2-fluorophenyl) methyl]pyrazol-3-yl}-1,2,4-triazole-3-thiol
Technical Specifications
| Molecular Formula | C21H19F4N7S |
| Molecular Weight | 477.13586 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 95.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.13586 Da |
| Heavy Atoms | 33 |
| Complexity | 761.0 |
| SMILES | C1CC1C2=CC(=NN2CCC3=NNC(=S)N3C4=NN(C=C4)CC5=CC=CC=C5F)C(F)(F)F |
| InChIKey | ICLVOCKUBDJEOK-UHFFFAOYSA-N |
Chemical Property Profile of 3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione
Property Insights of 3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione
The XLogP value of 3.2 indicates that 3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione 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 3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione has 1 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 3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione?
The CAS number of 3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione is 1005606-56-3.
What is the molecular formula of 3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione is C21H19F4N7S.
What is the molecular weight of 3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione is 477.13586 g/mol.
Where can I buy 3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione?
Yes, CoreyChem provides custom synthesis services for 3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.