1-Acetyl-4-nitro-5-phenyl-3-(trifluoromethyl)pyrazole
TL;DR: 1-Acetyl-4-nitro-5-phenyl-3-(trifluoromethyl)pyrazole (CAS 808764-35-4) is a chemical compound with molecular formula C12H8F3N3O3 and molecular weight 299.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-nitro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
Also Known As: 1-Acetyl-4-nitro-5-phenyl-3-(trifluoromethyl)pyrazole, 1-[4-nitro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
| Molecular Formula | C12H8F3N3O3 |
|---|---|
| Molecular Weight | 299.05 g/mol |
| LogP | 3.1372 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.0518 |
| Heavy Atoms | 21 |
| Complexity | 707.77313 |
Chemical Identifiers
| CAS Number | 808764-35-4 |
|---|---|
| SMILES | CC(=O)N1C(=C(C(=N1)C(F)(F)F)[N+](=O)[O-])C2=CC=CC=C2 |
Product Overview
1-Acetyl-4-nitro-5-phenyl-3-(trifluoromethyl)pyrazole (CAS 808764-35-4), with molecular formula C12H8F3N3O3 and molecular weight 299.05 g/mol. IUPAC: 1-[4-nitro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone.
Chemical Property Profile of 1-Acetyl-4-nitro-5-phenyl-3-(trifluoromethyl)pyrazole
Property Insights of 1-Acetyl-4-nitro-5-phenyl-3-(trifluoromethyl)pyrazole
The XLogP value of 3.1372 indicates that 1-Acetyl-4-nitro-5-phenyl-3-(trifluoromethyl)pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acetyl-4-nitro-5-phenyl-3-(trifluoromethyl)pyrazole. Following Lipinski's Rule of Five, 1-Acetyl-4-nitro-5-phenyl-3-(trifluoromethyl)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-4-nitro-5-phenyl-3-(trifluoromethyl)pyrazole?
The CAS number of 1-Acetyl-4-nitro-5-phenyl-3-(trifluoromethyl)pyrazole is 808764-35-4.
What is the molecular formula of 1-Acetyl-4-nitro-5-phenyl-3-(trifluoromethyl)pyrazole?
The molecular formula of 1-Acetyl-4-nitro-5-phenyl-3-(trifluoromethyl)pyrazole is C12H8F3N3O3.
What is the molecular weight of 1-Acetyl-4-nitro-5-phenyl-3-(trifluoromethyl)pyrazole?
The molecular weight of 1-Acetyl-4-nitro-5-phenyl-3-(trifluoromethyl)pyrazole is 299.05 g/mol.
Where can I buy 1-Acetyl-4-nitro-5-phenyl-3-(trifluoromethyl)pyrazole?
You can request a quote for 1-Acetyl-4-nitro-5-phenyl-3-(trifluoromethyl)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-4-nitro-5-phenyl-3-(trifluoromethyl)pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-4-nitro-5-phenyl-3-(trifluoromethyl)pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.