![[(4-bromo-1-methyl-1H-pyrazol-5-yl)methylidene]propanedinitrile structure](/static/products/1005/1005672-95-6.webp)
[(4-bromo-1-methyl-1H-pyrazol-5-yl)methylidene]propanedinitrile
TL;DR: [(4-bromo-1-methyl-1H-pyrazol-5-yl)methylidene]propanedinitrile (CAS 1005672-95-6) is a chemical compound with molecular formula C8H5BrN4 and molecular weight 235.96976 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-bromo-1-methylpyrazol-5-yl)methylidene]propanedinitrile
Also Known As: 2-((4-Bromo-1-methyl-1H-pyrazol-5-yl)methylene)malononitrile, 2-[(4-bromo-2-methyl-pyrazol-3-yl)methylidene]propanedinitrile, 2-[(4-bromo-2-methylpyrazol-3-yl)methylidene]propanedinitrile, [(4-bromo-1-methyl-1H-pyrazol-5-yl)methylidene]propanedinitrile, 2-[(4-BROMO-1-METHYL-1H-PYRAZOL-5-YL)METHYLENE]MALONONITRILE
Technical Specifications
| Molecular Formula | C8H5BrN4 |
| Molecular Weight | 235.96976 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 65.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.96976 Da |
| Heavy Atoms | 13 |
| Complexity | 300.0 |
| SMILES | CN1C(=C(C=N1)Br)C=C(C#N)C#N |
| InChIKey | SZBUBJGLXVZLJQ-UHFFFAOYSA-N |
Chemical Property Profile of [(4-bromo-1-methyl-1H-pyrazol-5-yl)methylidene]propanedinitrile
Property Insights of [(4-bromo-1-methyl-1H-pyrazol-5-yl)methylidene]propanedinitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(4-bromo-1-methyl-1H-pyrazol-5-yl)methylidene]propanedinitrile. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [(4-bromo-1-methyl-1H-pyrazol-5-yl)methylidene]propanedinitrile. Following Lipinski's Rule of Five, [(4-bromo-1-methyl-1H-pyrazol-5-yl)methylidene]propanedinitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of [(4-bromo-1-methyl-1H-pyrazol-5-yl)methylidene]propanedinitrile?
The CAS number of [(4-bromo-1-methyl-1H-pyrazol-5-yl)methylidene]propanedinitrile is 1005672-95-6.
What is the molecular formula of [(4-bromo-1-methyl-1H-pyrazol-5-yl)methylidene]propanedinitrile?
The molecular formula of [(4-bromo-1-methyl-1H-pyrazol-5-yl)methylidene]propanedinitrile is C8H5BrN4.
What is the molecular weight of [(4-bromo-1-methyl-1H-pyrazol-5-yl)methylidene]propanedinitrile?
The molecular weight of [(4-bromo-1-methyl-1H-pyrazol-5-yl)methylidene]propanedinitrile is 235.96976 g/mol.
Where can I buy [(4-bromo-1-methyl-1H-pyrazol-5-yl)methylidene]propanedinitrile?
You can request a quote for [(4-bromo-1-methyl-1H-pyrazol-5-yl)methylidene]propanedinitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [(4-bromo-1-methyl-1H-pyrazol-5-yl)methylidene]propanedinitrile?
Yes, CoreyChem provides custom synthesis services for [(4-bromo-1-methyl-1H-pyrazol-5-yl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.