Ethyl 5-amino-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-4-carboxylate
TL;DR: Ethyl 5-amino-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-4-carboxylate (CAS 400073-87-2) is a chemical compound with molecular formula C13H12F3N3O3 and molecular weight 315.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylate
Also Known As: Ethyl 5-amino-1-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxylate, ZERO/001768, ethyl 5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylate, Ethyl 5-amino-1-(4-(trifluoromethoxy)phenyl)-1h-pyrazole-4-carboxylate, Ethyl 5-amino-1-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxylate #
| Molecular Formula | C13H12F3N3O3 |
|---|---|
| Molecular Weight | 315.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 79.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.08307 |
| Heavy Atoms | 22 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 400073-87-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)OC(F)(F)F)N |
| InChIKey | ZUAXHCNKPJHCEU-UHFFFAOYSA-N |
Product Overview
Ethyl 5-amino-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-4-carboxylate (CAS 400073-87-2), with molecular formula C13H12F3N3O3 and molecular weight 315.08 g/mol. IUPAC: ethyl 5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylate.
Chemical Property Profile of Ethyl 5-amino-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-4-carboxylate
Property Insights of Ethyl 5-amino-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-4-carboxylate
The XLogP value of 3.5 indicates that Ethyl 5-amino-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-amino-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-amino-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-4-carboxylate has 1 hydrogen bond donor(s) and 8 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 5-amino-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-4-carboxylate?
The CAS number of Ethyl 5-amino-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-4-carboxylate is 400073-87-2.
What is the molecular formula of Ethyl 5-amino-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-4-carboxylate?
The molecular formula of Ethyl 5-amino-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-4-carboxylate is C13H12F3N3O3.
What is the molecular weight of Ethyl 5-amino-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-4-carboxylate?
The molecular weight of Ethyl 5-amino-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-4-carboxylate is 315.08 g/mol.
Where can I buy Ethyl 5-amino-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-4-carboxylate?
You can request a quote for Ethyl 5-amino-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-amino-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-amino-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.