1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
TL;DR: 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone (CAS 126026-65-1) is a chemical compound with molecular formula C7H10N2O and molecular weight 138.07932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
Also Known As: 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone, 4-acetyl-3,5-dimethylpyrazole, 4-Acetyl-3,5-dimethyl-pyrazol, Ethanone,1-(3,5-dimethyl-1H-pyrazol-4-yl)-, 1-(3,5-Dimethyl-4-pyrazolyl)ethanone
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H10N2O |
| Molecular Weight | 138.07932 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.07932 Da |
| Heavy Atoms | 10 |
| Complexity | 147.0 |
| SMILES | CC1=C(C(=NN1)C)C(=O)C |
| InChIKey | XVFAWYIDDRHPNV-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
Property Insights of 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone. With a topological polar surface area (TPSA) of 45.8 Ų, 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone has 1 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-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
The CAS number of 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone is 126026-65-1.
What is the molecular formula of 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
The molecular formula of 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone is C7H10N2O.
What is the molecular weight of 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
The molecular weight of 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone is 138.07932 g/mol.
Where can I buy 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
You can request a quote for 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
Yes, CoreyChem provides custom synthesis services for 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.