![ethyl 2-(4-methylpyrazol-1-yl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate structure](/static/products/100/1001625-55-3.png)
ethyl 2-(4-methylpyrazol-1-yl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate
TL;DR: ethyl 2-(4-methylpyrazol-1-yl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate (CAS 1001625-55-3) is a chemical compound with molecular formula C18H16F3N5O2 and molecular weight 391.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-methylpyrazol-1-yl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate
Also Known As: ethyl 2-(4-methylpyrazol-1-yl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate, ethyl 2-(4-methyl-1H-pyrazol-1-yl)-4-((3-(trifluoromethyl)phenyl)amino)pyrimidine-5-carboxylate, ethyl 2-(4-methyl-1H-pyrazol-1-yl)-4-{[3-(trifluoromethyl)phenyl]amino}pyrimidine-5-carboxylate
| Molecular Formula | C18H16F3N5O2 |
|---|---|
| Molecular Weight | 391.13 g/mol |
| LogP | 3.90982 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.1256 |
| Heavy Atoms | 28 |
| Complexity | 1000.8813 |
Chemical Identifiers
| CAS Number | 1001625-55-3 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1NC2=CC=CC(=C2)C(F)(F)F)N3C=C(C=N3)C |
Product Overview
ethyl 2-(4-methylpyrazol-1-yl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate (CAS 1001625-55-3), with molecular formula C18H16F3N5O2 and molecular weight 391.13 g/mol. IUPAC: ethyl 2-(4-methylpyrazol-1-yl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 2-(4-methylpyrazol-1-yl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate
Property Insights of ethyl 2-(4-methylpyrazol-1-yl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate
The XLogP value of 3.90982 indicates that ethyl 2-(4-methylpyrazol-1-yl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.93 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(4-methylpyrazol-1-yl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(4-methylpyrazol-1-yl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate has 1 hydrogen bond donor(s) and 6 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 ethyl 2-(4-methylpyrazol-1-yl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate?
The CAS number of ethyl 2-(4-methylpyrazol-1-yl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate is 1001625-55-3.
What is the molecular formula of ethyl 2-(4-methylpyrazol-1-yl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate?
The molecular formula of ethyl 2-(4-methylpyrazol-1-yl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate is C18H16F3N5O2.
What is the molecular weight of ethyl 2-(4-methylpyrazol-1-yl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate?
The molecular weight of ethyl 2-(4-methylpyrazol-1-yl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate is 391.13 g/mol.
Where can I buy ethyl 2-(4-methylpyrazol-1-yl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate?
You can request a quote for ethyl 2-(4-methylpyrazol-1-yl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(4-methylpyrazol-1-yl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(4-methylpyrazol-1-yl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.