5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole
TL;DR: 5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole (CAS 1998157-92-8) is a chemical compound with molecular formula C5H4F3N3O2 and molecular weight 195.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole
Also Known As: 5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole, 5-Methyl-4-nitro-3-trifluoromethyl-1H-pyrazole, 5-Methyl-4-nitro-3-(trifluoromethyl)pyrazole, 3-METHYL-4-NITRO-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE, 3-Methyl-4-nitro-5-(trifluoromethyl)pyrazole
| Molecular Formula | C5H4F3N3O2 |
|---|---|
| Molecular Weight | 195.03 g/mol |
| LogP | 1.64512 |
| Topological Polar Surface Area | 71.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.02556 |
| Heavy Atoms | 13 |
| Complexity | 343.2841 |
Chemical Identifiers
| CAS Number | 1998157-92-8 |
|---|---|
| SMILES | CC1=C(C(=NN1)C(F)(F)F)[N+](=O)[O-] |
Product Overview
5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole (CAS 1998157-92-8), with molecular formula C5H4F3N3O2 and molecular weight 195.03 g/mol. IUPAC: 5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole.
Chemical Property Profile of 5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole
Property Insights of 5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole
The XLogP value of 1.64512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole. The TPSA of 71.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole. Following Lipinski's Rule of Five, 5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole has 1 hydrogen bond donor(s) and 3 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 5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole?
The CAS number of 5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole is 1998157-92-8.
What is the molecular formula of 5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole?
The molecular formula of 5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole is C5H4F3N3O2.
What is the molecular weight of 5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole?
The molecular weight of 5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole is 195.03 g/mol.
Where can I buy 5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole?
You can request a quote for 5-methyl-4-nitro-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 5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.