1-{5-methyl-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-1-ethanone
TL;DR: 1-{5-methyl-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-1-ethanone (CAS 956754-81-7) is a chemical compound with molecular formula C11H10F3N3OS and molecular weight 289.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]ethanone
Also Known As: 1-{5-methyl-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-1-ethanone, 1-{5-methyl-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}ethan-1-one, 1-[5-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]ethanone, 7W-0812, 1-[5-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]thiazol-4-yl]ethanone
| Molecular Formula | C11H10F3N3OS |
|---|---|
| Molecular Weight | 289.05 g/mol |
| LogP | 3.16704 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.04968 |
| Heavy Atoms | 19 |
| Complexity | 642.1415 |
Chemical Identifiers
| CAS Number | 956754-81-7 |
|---|---|
| SMILES | CC1=NN(C(=C1)C(F)(F)F)C2=NC(=C(S2)C)C(=O)C |
Product Overview
1-{5-methyl-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-1-ethanone (CAS 956754-81-7), with molecular formula C11H10F3N3OS and molecular weight 289.05 g/mol. IUPAC: 1-[5-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]ethanone.
Chemical Property Profile of 1-{5-methyl-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-1-ethanone
Property Insights of 1-{5-methyl-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-1-ethanone
The XLogP value of 3.16704 indicates that 1-{5-methyl-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-1-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, 1-{5-methyl-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-1-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{5-methyl-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-1-ethanone has 0 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 1-{5-methyl-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-1-ethanone?
The CAS number of 1-{5-methyl-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-1-ethanone is 956754-81-7.
What is the molecular formula of 1-{5-methyl-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-1-ethanone?
The molecular formula of 1-{5-methyl-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-1-ethanone is C11H10F3N3OS.
What is the molecular weight of 1-{5-methyl-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-1-ethanone?
The molecular weight of 1-{5-methyl-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-1-ethanone is 289.05 g/mol.
Where can I buy 1-{5-methyl-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-1-ethanone?
You can request a quote for 1-{5-methyl-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-1-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-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-{5-methyl-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.