Pyrazole, 3,5-dimethyl-1-(o-trifluoromethylbenzoyl)-
TL;DR: Pyrazole, 3,5-dimethyl-1-(o-trifluoromethylbenzoyl)- (CAS 17605-85-5) is a chemical compound with molecular formula C13H11F3N2O and molecular weight 268.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethylpyrazol-1-yl)-[2-(trifluoromethyl)phenyl]methanone
Also Known As: Pyrazole, 3,5-dimethyl-1-(o-trifluoromethylbenzoyl)-, 3,5-Dimethyl-1-(o-trifluoromethylbenzoyl)pyrazole, 5-23-05-00115 (Beilstein Handbook Reference), 3,5-Dimethyl-1-[2-(trifluoromethyl)benzoyl]-1H-pyrazole, 1H-Pyrazole, 3,5-dimethyl-1-[2-(trifluoromethyl)benzoyl]-
| Molecular Formula | C13H11F3N2O |
|---|---|
| Molecular Weight | 268.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.08234 |
| Heavy Atoms | 19 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 17605-85-5 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)C2=CC=CC=C2C(F)(F)F)C |
| InChIKey | RGHYZNGWJINCAA-UHFFFAOYSA-N |
Product Overview
Pyrazole, 3,5-dimethyl-1-(o-trifluoromethylbenzoyl)- (CAS 17605-85-5), with molecular formula C13H11F3N2O and molecular weight 268.08 g/mol. IUPAC: (3,5-dimethylpyrazol-1-yl)-[2-(trifluoromethyl)phenyl]methanone.
Chemical Property Profile of Pyrazole, 3,5-dimethyl-1-(o-trifluoromethylbenzoyl)-
Property Insights of Pyrazole, 3,5-dimethyl-1-(o-trifluoromethylbenzoyl)-
The XLogP value of 3.5 indicates that Pyrazole, 3,5-dimethyl-1-(o-trifluoromethylbenzoyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.9 Ų, Pyrazole, 3,5-dimethyl-1-(o-trifluoromethylbenzoyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrazole, 3,5-dimethyl-1-(o-trifluoromethylbenzoyl)- has 0 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 Pyrazole, 3,5-dimethyl-1-(o-trifluoromethylbenzoyl)-?
The CAS number of Pyrazole, 3,5-dimethyl-1-(o-trifluoromethylbenzoyl)- is 17605-85-5.
What is the molecular formula of Pyrazole, 3,5-dimethyl-1-(o-trifluoromethylbenzoyl)-?
The molecular formula of Pyrazole, 3,5-dimethyl-1-(o-trifluoromethylbenzoyl)- is C13H11F3N2O.
What is the molecular weight of Pyrazole, 3,5-dimethyl-1-(o-trifluoromethylbenzoyl)-?
The molecular weight of Pyrazole, 3,5-dimethyl-1-(o-trifluoromethylbenzoyl)- is 268.08 g/mol.
Where can I buy Pyrazole, 3,5-dimethyl-1-(o-trifluoromethylbenzoyl)-?
You can request a quote for Pyrazole, 3,5-dimethyl-1-(o-trifluoromethylbenzoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrazole, 3,5-dimethyl-1-(o-trifluoromethylbenzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrazole, 3,5-dimethyl-1-(o-trifluoromethylbenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.