![1-[5-methyl-1-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyrazol-4-yl]ethanone structure](/static/products/100/1004192-31-7.png)
1-[5-methyl-1-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyrazol-4-yl]ethanone
TL;DR: 1-[5-methyl-1-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyrazol-4-yl]ethanone (CAS 1004192-31-7) is a chemical compound with molecular formula C17H14F3N5O and molecular weight 361.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-methyl-1-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyrazol-4-yl]ethanone
Also Known As: 1-[5-methyl-1-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyrazol-4-yl]ethanone, 1-(5-methyl-1-(6-((3-(trifluoromethyl)phenyl)amino)pyrimidin-4-yl)-1H-pyrazol-4-yl)ethanone, 1-[5-methyl-1-(6-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)-1H-pyrazol-4-yl]ethanone
| Molecular Formula | C17H14F3N5O |
|---|---|
| Molecular Weight | 361.12 g/mol |
| LogP | 3.93572 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.11505 |
| Heavy Atoms | 26 |
| Complexity | 965.02734 |
Chemical Identifiers
| CAS Number | 1004192-31-7 |
|---|---|
| SMILES | CC1=C(C=NN1C2=NC=NC(=C2)NC3=CC=CC(=C3)C(F)(F)F)C(=O)C |
Product Overview
1-[5-methyl-1-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyrazol-4-yl]ethanone (CAS 1004192-31-7), with molecular formula C17H14F3N5O and molecular weight 361.12 g/mol. IUPAC: 1-[5-methyl-1-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyrazol-4-yl]ethanone.
Chemical Property Profile of 1-[5-methyl-1-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyrazol-4-yl]ethanone
Property Insights of 1-[5-methyl-1-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyrazol-4-yl]ethanone
The XLogP value of 3.93572 indicates that 1-[5-methyl-1-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyrazol-4-yl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[5-methyl-1-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyrazol-4-yl]ethanone. Following Lipinski's Rule of Five, 1-[5-methyl-1-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyrazol-4-yl]ethanone 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 1-[5-methyl-1-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyrazol-4-yl]ethanone?
The CAS number of 1-[5-methyl-1-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyrazol-4-yl]ethanone is 1004192-31-7.
What is the molecular formula of 1-[5-methyl-1-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyrazol-4-yl]ethanone?
The molecular formula of 1-[5-methyl-1-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyrazol-4-yl]ethanone is C17H14F3N5O.
What is the molecular weight of 1-[5-methyl-1-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyrazol-4-yl]ethanone?
The molecular weight of 1-[5-methyl-1-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyrazol-4-yl]ethanone is 361.12 g/mol.
Where can I buy 1-[5-methyl-1-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyrazol-4-yl]ethanone?
You can request a quote for 1-[5-methyl-1-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyrazol-4-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[5-methyl-1-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyrazol-4-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-methyl-1-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyrazol-4-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.