2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile
TL;DR: 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile (CAS 946786-24-9) is a chemical compound with molecular formula C7H8BrN3 and molecular weight 212.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetonitrile
Also Known As: 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile, (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile, Maybridge1_004597, 2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetonitrile, 5720AD
| Molecular Formula | C7H8BrN3 |
|---|---|
| Molecular Weight | 212.99 g/mol |
| LogP | 1.78602 |
| Topological Polar Surface Area | 41.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.99016 |
| Heavy Atoms | 11 |
| Complexity | 308.22098 |
Chemical Identifiers
| CAS Number | 946786-24-9 |
|---|---|
| SMILES | CC1=C(C(=NN1CC#N)C)Br |
Product Overview
2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile (CAS 946786-24-9), with molecular formula C7H8BrN3 and molecular weight 212.99 g/mol. IUPAC: 2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetonitrile.
Chemical Property Profile of 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile
Property Insights of 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile
The XLogP value of 1.78602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile. With a topological polar surface area (TPSA) of 41.61 Ų, 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile 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
Frequently Asked Questions
What is the CAS number of 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile?
The CAS number of 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile is 946786-24-9.
What is the molecular formula of 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile?
The molecular formula of 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile is C7H8BrN3.
What is the molecular weight of 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile?
The molecular weight of 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile is 212.99 g/mol.
Where can I buy 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile?
You can request a quote for 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.