1-(3-(Trifluoromethyl)-1H-pyrazol-1-yl)propan-2-one
TL;DR: 1-(3-(Trifluoromethyl)-1H-pyrazol-1-yl)propan-2-one (CAS 1004643-67-7) is a chemical compound with molecular formula C7H7F3N2O and molecular weight 192.05104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-one
Also Known As: 1-(3-(Trifluoromethyl)-1H-pyrazol-1-yl)propan-2-one, 1-(3-Trifluoromethyl-pyrazol-1-yl)-propan-2-one, 1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-one, 1-[3-(trifluoromethyl)pyrazolyl]acetone, 1-[3-(trifluoromethyl)-1H-pyrazol-1-yl]propan-2-one
Technical Specifications
| Molecular Formula | C7H7F3N2O |
| Molecular Weight | 192.05104 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.05104 Da |
| Heavy Atoms | 13 |
| Complexity | 204.0 |
| SMILES | CC(=O)CN1C=CC(=N1)C(F)(F)F |
| InChIKey | PXFXQBQKIGSSKH-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-(Trifluoromethyl)-1H-pyrazol-1-yl)propan-2-one
Property Insights of 1-(3-(Trifluoromethyl)-1H-pyrazol-1-yl)propan-2-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-(Trifluoromethyl)-1H-pyrazol-1-yl)propan-2-one. With a topological polar surface area (TPSA) of 34.9 Ų, 1-(3-(Trifluoromethyl)-1H-pyrazol-1-yl)propan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-(Trifluoromethyl)-1H-pyrazol-1-yl)propan-2-one 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
What is the CAS number of 1-(3-(Trifluoromethyl)-1H-pyrazol-1-yl)propan-2-one?
The CAS number of 1-(3-(Trifluoromethyl)-1H-pyrazol-1-yl)propan-2-one is 1004643-67-7.
What is the molecular formula of 1-(3-(Trifluoromethyl)-1H-pyrazol-1-yl)propan-2-one?
The molecular formula of 1-(3-(Trifluoromethyl)-1H-pyrazol-1-yl)propan-2-one is C7H7F3N2O.
What is the molecular weight of 1-(3-(Trifluoromethyl)-1H-pyrazol-1-yl)propan-2-one?
The molecular weight of 1-(3-(Trifluoromethyl)-1H-pyrazol-1-yl)propan-2-one is 192.05104 g/mol.
Where can I buy 1-(3-(Trifluoromethyl)-1H-pyrazol-1-yl)propan-2-one?
You can request a quote for 1-(3-(Trifluoromethyl)-1H-pyrazol-1-yl)propan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-(Trifluoromethyl)-1H-pyrazol-1-yl)propan-2-one?
Yes, CoreyChem provides custom synthesis services for 1-(3-(Trifluoromethyl)-1H-pyrazol-1-yl)propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.