3-bromo-5-methyl-1H-pyrazole
TL;DR: 3-bromo-5-methyl-1H-pyrazole (CAS 5744-68-3) is a chemical compound with molecular formula C4H5BrN2 and molecular weight 159.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-5-methyl-1H-pyrazole
Also Known As: 3-bromo-5-methyl-1H-pyrazole, 5-Bromo-3-methyl-1H-pyrazole, 3-bromo-5-methylpyrazole, 3-Bromo-5-methyl-1H pyrazole, 1H-Pyrazole, 3-bromo-5-methyl-
| Molecular Formula | C4H5BrN2 |
|---|---|
| Molecular Weight | 159.96 g/mol |
| LogP | 1.48062 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.96361 |
| Heavy Atoms | 7 |
| Complexity | 141.97833 |
Chemical Identifiers
| CAS Number | 5744-68-3 |
|---|---|
| SMILES | CC1=CC(=NN1)Br |
Product Overview
3-bromo-5-methyl-1H-pyrazole (CAS 5744-68-3), with molecular formula C4H5BrN2 and molecular weight 159.96 g/mol. IUPAC: 3-bromo-5-methyl-1H-pyrazole.
Chemical Property Profile of 3-bromo-5-methyl-1H-pyrazole
Property Insights of 3-bromo-5-methyl-1H-pyrazole
The XLogP value of 1.48062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromo-5-methyl-1H-pyrazole. With a topological polar surface area (TPSA) of 28.68 Ų, 3-bromo-5-methyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-5-methyl-1H-pyrazole has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-bromo-5-methyl-1H-pyrazole?
The CAS number of 3-bromo-5-methyl-1H-pyrazole is 5744-68-3.
What is the molecular formula of 3-bromo-5-methyl-1H-pyrazole?
The molecular formula of 3-bromo-5-methyl-1H-pyrazole is C4H5BrN2.
What is the molecular weight of 3-bromo-5-methyl-1H-pyrazole?
The molecular weight of 3-bromo-5-methyl-1H-pyrazole is 159.96 g/mol.
Where can I buy 3-bromo-5-methyl-1H-pyrazole?
You can request a quote for 3-bromo-5-methyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-5-methyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-5-methyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.