![N-[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]-4-(trifluoromethoxy)aniline structure](/static/products/4361/436100-82-2.webp)
N-[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]-4-(trifluoromethoxy)aniline
TL;DR: N-[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]-4-(trifluoromethoxy)aniline (CAS 436100-82-2) is a chemical compound with molecular formula C14H13F3N4O3 and molecular weight 342.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(1,3-dimethyl-4-nitropyrazol-5-yl)ethenyl]-4-(trifluoromethoxy)aniline
Also Known As: N-[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]-4-(trifluoromethoxy)aniline, N-[2-(2,5-dimethyl-4-nitropyrazol-3-yl)ethenyl]-4-(trifluoromethoxy)aniline
| Molecular Formula | C14H13F3N4O3 |
|---|---|
| Molecular Weight | 342.09 g/mol |
| LogP | 3.61812 |
| Topological Polar Surface Area | 82.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.09396 |
| Heavy Atoms | 24 |
| Complexity | 766.80725 |
Chemical Identifiers
| CAS Number | 436100-82-2 |
|---|---|
| SMILES | CC1=NN(C(=C1[N+](=O)[O-])C=CNC2=CC=C(C=C2)OC(F)(F)F)C |
Product Overview
N-[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]-4-(trifluoromethoxy)aniline (CAS 436100-82-2), with molecular formula C14H13F3N4O3 and molecular weight 342.09 g/mol. IUPAC: N-[2-(1,3-dimethyl-4-nitropyrazol-5-yl)ethenyl]-4-(trifluoromethoxy)aniline.
Chemical Property Profile of N-[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]-4-(trifluoromethoxy)aniline
Property Insights of N-[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]-4-(trifluoromethoxy)aniline
The XLogP value of 3.61812 indicates that N-[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]-4-(trifluoromethoxy)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.22 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]-4-(trifluoromethoxy)aniline. Following Lipinski's Rule of Five, N-[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]-4-(trifluoromethoxy)aniline has 1 hydrogen bond donor(s) and 5 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 N-[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]-4-(trifluoromethoxy)aniline?
The CAS number of N-[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]-4-(trifluoromethoxy)aniline is 436100-82-2.
What is the molecular formula of N-[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]-4-(trifluoromethoxy)aniline?
The molecular formula of N-[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]-4-(trifluoromethoxy)aniline is C14H13F3N4O3.
What is the molecular weight of N-[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]-4-(trifluoromethoxy)aniline?
The molecular weight of N-[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]-4-(trifluoromethoxy)aniline is 342.09 g/mol.
Where can I buy N-[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]-4-(trifluoromethoxy)aniline?
You can request a quote for N-[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]-4-(trifluoromethoxy)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]-4-(trifluoromethoxy)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)vinyl]-4-(trifluoromethoxy)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.