1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one
TL;DR: 1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one (CAS 1125-28-6) is a chemical compound with molecular formula C8H12N2O and molecular weight 152.09496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,3,5-trimethylpyrazol-4-yl)ethanone
Also Known As: 1-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethanone, 1-(1,3,5-trimethylpyrazol-4-yl)ethanone, 1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one, 1,3,5-trimethyl-4-acetylpyrazole, 1-(1,3,5-Trimethyl-1H-Pyrazol-4-Yl)-Ethanone
Technical Specifications
| Molecular Formula | C8H12N2O |
| Molecular Weight | 152.09496 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.09496 Da |
| Heavy Atoms | 11 |
| Complexity | 169.0 |
| SMILES | CC1=C(C(=NN1C)C)C(=O)C |
| InChIKey | RRRUNQHYQYTSHH-UHFFFAOYSA-N |
Chemical Property Profile of 1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one
Property Insights of 1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one. With a topological polar surface area (TPSA) of 34.9 Ų, 1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(trimethyl-1H-pyrazol-4-yl)ethan-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
What is the CAS number of 1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one?
The CAS number of 1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one is 1125-28-6.
What is the molecular formula of 1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one?
The molecular formula of 1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one is C8H12N2O.
What is the molecular weight of 1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one?
The molecular weight of 1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one is 152.09496 g/mol.
Where can I buy 1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one?
You can request a quote for 1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.