1-Acetyl-5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole
TL;DR: 1-Acetyl-5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole (CAS 229980-58-9) is a chemical compound with molecular formula C7H6F3N3O3 and molecular weight 237.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]ethanone
Also Known As: 1-Acetyl-5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole, 1-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]ethanone, 1-Acetyl-5(3)-methyl-4-nitro-3(5)-(trifluoromethyl)pyrazole, 1-acetyl-5-methyl-4-nitro-3-(trifluoromethyl)pyrazole, 1-ACETYL-3(5)-TRIFLUOROMETHYL-5(3)-METHYL-4-(NITRO)PYRAZOLE
| Molecular Formula | C7H6F3N3O3 |
|---|---|
| Molecular Weight | 237.04 g/mol |
| LogP | 1.77862 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.03613 |
| Heavy Atoms | 16 |
| Complexity | 463.4226 |
Chemical Identifiers
| CAS Number | 229980-58-9 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)C)C(F)(F)F)[N+](=O)[O-] |
Product Overview
1-Acetyl-5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole (CAS 229980-58-9), with molecular formula C7H6F3N3O3 and molecular weight 237.04 g/mol. IUPAC: 1-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]ethanone.
Chemical Property Profile of 1-Acetyl-5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole
Property Insights of 1-Acetyl-5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole
The XLogP value of 1.77862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetyl-5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acetyl-5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole. Following Lipinski's Rule of Five, 1-Acetyl-5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole has 0 hydrogen bond donor(s) and 4 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-Acetyl-5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole?
The CAS number of 1-Acetyl-5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole is 229980-58-9.
What is the molecular formula of 1-Acetyl-5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole?
The molecular formula of 1-Acetyl-5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole is C7H6F3N3O3.
What is the molecular weight of 1-Acetyl-5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole?
The molecular weight of 1-Acetyl-5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole is 237.04 g/mol.
Where can I buy 1-Acetyl-5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole?
You can request a quote for 1-Acetyl-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 1-Acetyl-5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.