![3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide structure](/static/products/5128/512823-69-7.webp)
3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
TL;DR: 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide (CAS 512823-69-7) is a chemical compound with molecular formula C20H16F4N4O3 and molecular weight 436.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
Also Known As: 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide, 3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide, N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}methyl)benzamide
| Molecular Formula | C20H16F4N4O3 |
|---|---|
| Molecular Weight | 436.12 g/mol |
| LogP | 4.86664 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.11584 |
| Heavy Atoms | 31 |
| Complexity | 1171.717 |
Chemical Identifiers
| CAS Number | 512823-69-7 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC(=CC=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)F)C)[N+](=O)[O-] |
Product Overview
3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide (CAS 512823-69-7), with molecular formula C20H16F4N4O3 and molecular weight 436.12 g/mol. IUPAC: 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide.
Chemical Property Profile of 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
Property Insights of 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
The XLogP value of 4.86664 indicates that 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide. Following Lipinski's Rule of Five, 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide has 1 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 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide?
The CAS number of 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide is 512823-69-7.
What is the molecular formula of 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide?
The molecular formula of 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide is C20H16F4N4O3.
What is the molecular weight of 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide?
The molecular weight of 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide is 436.12 g/mol.
Where can I buy 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide?
You can request a quote for 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.