1-isopropyl-4-methyl-3-(trifluoromethyl)-1H-pyrazole
TL;DR: 1-isopropyl-4-methyl-3-(trifluoromethyl)-1H-pyrazole (CAS 646455-60-9) is a chemical compound with molecular formula C8H11F3N2 and molecular weight 192.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
Also Known As: 1-isopropyl-4-methyl-3-(trifluoromethyl)-1H-pyrazole, 4-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole, 1-isopropyl-4-methyl-3-(trifluoromethyl)pyrazole, 4-methyl-1-(methylethyl)-3-(trifluoromethyl)pyrazole, 4-methyl-1-(propan-2-yl)-3-(trifluoromethyl)-1H-pyrazole
| Molecular Formula | C8H11F3N2 |
|---|---|
| Molecular Weight | 192.09 g/mol |
| LogP | 2.79122 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.08743 |
| Heavy Atoms | 13 |
| Complexity | 298.82806 |
Chemical Identifiers
| CAS Number | 646455-60-9 |
|---|---|
| SMILES | CC1=CN(N=C1C(F)(F)F)C(C)C |
Product Overview
1-isopropyl-4-methyl-3-(trifluoromethyl)-1H-pyrazole (CAS 646455-60-9), with molecular formula C8H11F3N2 and molecular weight 192.09 g/mol. IUPAC: 4-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole.
Chemical Property Profile of 1-isopropyl-4-methyl-3-(trifluoromethyl)-1H-pyrazole
Property Insights of 1-isopropyl-4-methyl-3-(trifluoromethyl)-1H-pyrazole
The XLogP value of 2.79122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-isopropyl-4-methyl-3-(trifluoromethyl)-1H-pyrazole. With a topological polar surface area (TPSA) of 17.82 Ų, 1-isopropyl-4-methyl-3-(trifluoromethyl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-isopropyl-4-methyl-3-(trifluoromethyl)-1H-pyrazole has 0 hydrogen bond donor(s) and 1 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 1-isopropyl-4-methyl-3-(trifluoromethyl)-1H-pyrazole?
The CAS number of 1-isopropyl-4-methyl-3-(trifluoromethyl)-1H-pyrazole is 646455-60-9.
What is the molecular formula of 1-isopropyl-4-methyl-3-(trifluoromethyl)-1H-pyrazole?
The molecular formula of 1-isopropyl-4-methyl-3-(trifluoromethyl)-1H-pyrazole is C8H11F3N2.
What is the molecular weight of 1-isopropyl-4-methyl-3-(trifluoromethyl)-1H-pyrazole?
The molecular weight of 1-isopropyl-4-methyl-3-(trifluoromethyl)-1H-pyrazole is 192.09 g/mol.
Where can I buy 1-isopropyl-4-methyl-3-(trifluoromethyl)-1H-pyrazole?
You can request a quote for 1-isopropyl-4-methyl-3-(trifluoromethyl)-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-isopropyl-4-methyl-3-(trifluoromethyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-isopropyl-4-methyl-3-(trifluoromethyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.