1-(3,5-Dimethylpyrazolyl)-2,2,2-trifluoroethan-1-one
TL;DR: 1-(3,5-Dimethylpyrazolyl)-2,2,2-trifluoroethan-1-one (CAS 657-09-0) is a chemical compound with molecular formula C7H7F3N2O and molecular weight 192.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5-dimethylpyrazol-1-yl)-2,2,2-trifluoroethanone
Also Known As: 1-(3,5-dimethylpyrazol-1-yl)-2,2,2-trifluoroethanone, 1-(3,5-dimethylpyrazolyl)-2,2,2-trifluoroethan-1-one, 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2,2,2-trifluoroethanone
| Molecular Formula | C7H7F3N2O |
|---|---|
| Molecular Weight | 192.05 g/mol |
| LogP | 1.70244 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.05104 |
| Heavy Atoms | 13 |
| Complexity | 339.99713 |
Chemical Identifiers
| CAS Number | 657-09-0 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)C(F)(F)F)C |
Product Overview
1-(3,5-Dimethylpyrazolyl)-2,2,2-trifluoroethan-1-one (CAS 657-09-0), with molecular formula C7H7F3N2O and molecular weight 192.05 g/mol. IUPAC: 1-(3,5-dimethylpyrazol-1-yl)-2,2,2-trifluoroethanone.
Chemical Property Profile of 1-(3,5-Dimethylpyrazolyl)-2,2,2-trifluoroethan-1-one
Property Insights of 1-(3,5-Dimethylpyrazolyl)-2,2,2-trifluoroethan-1-one
The XLogP value of 1.70244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,5-Dimethylpyrazolyl)-2,2,2-trifluoroethan-1-one. With a topological polar surface area (TPSA) of 34.89 Ų, 1-(3,5-Dimethylpyrazolyl)-2,2,2-trifluoroethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,5-Dimethylpyrazolyl)-2,2,2-trifluoroethan-1-one has 0 hydrogen bond donor(s) and 2 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-(3,5-Dimethylpyrazolyl)-2,2,2-trifluoroethan-1-one?
The CAS number of 1-(3,5-Dimethylpyrazolyl)-2,2,2-trifluoroethan-1-one is 657-09-0.
What is the molecular formula of 1-(3,5-Dimethylpyrazolyl)-2,2,2-trifluoroethan-1-one?
The molecular formula of 1-(3,5-Dimethylpyrazolyl)-2,2,2-trifluoroethan-1-one is C7H7F3N2O.
What is the molecular weight of 1-(3,5-Dimethylpyrazolyl)-2,2,2-trifluoroethan-1-one?
The molecular weight of 1-(3,5-Dimethylpyrazolyl)-2,2,2-trifluoroethan-1-one is 192.05 g/mol.
Where can I buy 1-(3,5-Dimethylpyrazolyl)-2,2,2-trifluoroethan-1-one?
You can request a quote for 1-(3,5-Dimethylpyrazolyl)-2,2,2-trifluoroethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,5-Dimethylpyrazolyl)-2,2,2-trifluoroethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-Dimethylpyrazolyl)-2,2,2-trifluoroethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.