2-Bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one
TL;DR: 2-Bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one (CAS 137577-00-5) is a chemical compound with molecular formula C12H11BrN2O and molecular weight 278.0055 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-1-(5-methyl-1-phenylpyrazol-4-yl)ethanone
Also Known As: 2-Bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-1-ethanone, 2-bromo-1-(5-methyl-1-phenylpyrazol-4-yl)ethanone, 2-Bromo-1-(5-Methyl-1-Phenyl-1H-Pyrazol-4-Yl)Ethan-1-One, 2-Bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone, 2-BROMO-1- -1-ETHANONE
Technical Specifications
| Molecular Formula | C12H11BrN2O |
| Molecular Weight | 278.0055 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.0055 Da |
| Heavy Atoms | 16 |
| Complexity | 253.0 |
| SMILES | CC1=C(C=NN1C2=CC=CC=C2)C(=O)CBr |
| InChIKey | VYGXRQSIPNGJNK-UHFFFAOYSA-N |
Chemical Property Profile of 2-Bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one
Property Insights of 2-Bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one. With a topological polar surface area (TPSA) of 34.9 Ų, 2-Bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1-(5-methyl-1-phenyl-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 2-Bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one?
The CAS number of 2-Bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one is 137577-00-5.
What is the molecular formula of 2-Bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one?
The molecular formula of 2-Bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one is C12H11BrN2O.
What is the molecular weight of 2-Bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one?
The molecular weight of 2-Bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one is 278.0055 g/mol.
Where can I buy 2-Bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one?
You can request a quote for 2-Bromo-1-(5-methyl-1-phenyl-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 2-Bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one?
Yes, CoreyChem provides custom synthesis services for 2-Bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.