1-(4-Bromo-3,5-dimethyl-1h-pyrazol-1-yl)acetone
TL;DR: 1-(4-Bromo-3,5-dimethyl-1h-pyrazol-1-yl)acetone (CAS 1004017-87-1) is a chemical compound with molecular formula C8H11BrN2O and molecular weight 230.00548 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-one
Also Known As: 1-(4-bromo-3,5-dimethyl-1h-pyrazol-1-yl)acetone, 1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-one, 1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-one, 1-(4-bromo-3,5-dimethylpyrazolyl)acetone, Y-0929
Technical Specifications
| Molecular Formula | C8H11BrN2O |
| Molecular Weight | 230.00548 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.00548 Da |
| Heavy Atoms | 12 |
| Complexity | 186.0 |
| SMILES | CC1=C(C(=NN1CC(=O)C)C)Br |
| InChIKey | DJBKJULCIPAZCS-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Bromo-3,5-dimethyl-1h-pyrazol-1-yl)acetone
Property Insights of 1-(4-Bromo-3,5-dimethyl-1h-pyrazol-1-yl)acetone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Bromo-3,5-dimethyl-1h-pyrazol-1-yl)acetone. With a topological polar surface area (TPSA) of 34.9 Ų, 1-(4-Bromo-3,5-dimethyl-1h-pyrazol-1-yl)acetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromo-3,5-dimethyl-1h-pyrazol-1-yl)acetone 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-(4-Bromo-3,5-dimethyl-1h-pyrazol-1-yl)acetone?
The CAS number of 1-(4-Bromo-3,5-dimethyl-1h-pyrazol-1-yl)acetone is 1004017-87-1.
What is the molecular formula of 1-(4-Bromo-3,5-dimethyl-1h-pyrazol-1-yl)acetone?
The molecular formula of 1-(4-Bromo-3,5-dimethyl-1h-pyrazol-1-yl)acetone is C8H11BrN2O.
What is the molecular weight of 1-(4-Bromo-3,5-dimethyl-1h-pyrazol-1-yl)acetone?
The molecular weight of 1-(4-Bromo-3,5-dimethyl-1h-pyrazol-1-yl)acetone is 230.00548 g/mol.
Where can I buy 1-(4-Bromo-3,5-dimethyl-1h-pyrazol-1-yl)acetone?
You can request a quote for 1-(4-Bromo-3,5-dimethyl-1h-pyrazol-1-yl)acetone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Bromo-3,5-dimethyl-1h-pyrazol-1-yl)acetone?
Yes, CoreyChem provides custom synthesis services for 1-(4-Bromo-3,5-dimethyl-1h-pyrazol-1-yl)acetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.