2-((1-Methyl-1H-pyrazol-5-yl)methylene)malononitrile
TL;DR: 2-((1-Methyl-1H-pyrazol-5-yl)methylene)malononitrile (CAS 1005675-89-7) is a chemical compound with molecular formula C8H6N4 and molecular weight 158.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methylpyrazol-3-yl)methylidene]propanedinitrile
Also Known As: 2-((1-Methyl-1H-pyrazol-5-yl)methylene)malononitrile, [(1-methyl-1H-pyrazol-5-yl)methylene]malononitrile, 2-[(2-methylpyrazol-3-yl)methylidene]propanedinitrile, [(1-methyl-1H-pyrazol-5-yl)methylidene]propanedinitrile, 1-CYANO-2-(1-METHYL-1H-PYRAZOL-5-YL)VINYL CYANIDE
| Molecular Formula | C8H6N4 |
|---|---|
| Molecular Weight | 158.06 g/mol |
| LogP | 0.85066 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.05925 |
| Heavy Atoms | 12 |
| Complexity | 369.92575 |
Chemical Identifiers
| CAS Number | 1005675-89-7 |
|---|---|
| SMILES | CN1C(=CC=N1)C=C(C#N)C#N |
Product Overview
2-((1-Methyl-1H-pyrazol-5-yl)methylene)malononitrile (CAS 1005675-89-7), with molecular formula C8H6N4 and molecular weight 158.06 g/mol. IUPAC: 2-[(2-methylpyrazol-3-yl)methylidene]propanedinitrile.
Chemical Property Profile of 2-((1-Methyl-1H-pyrazol-5-yl)methylene)malononitrile
Property Insights of 2-((1-Methyl-1H-pyrazol-5-yl)methylene)malononitrile
The XLogP value of 0.85066 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1-Methyl-1H-pyrazol-5-yl)methylene)malononitrile. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1-Methyl-1H-pyrazol-5-yl)methylene)malononitrile. Following Lipinski's Rule of Five, 2-((1-Methyl-1H-pyrazol-5-yl)methylene)malononitrile 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
Frequently Asked Questions
What is the CAS number of 2-((1-Methyl-1H-pyrazol-5-yl)methylene)malononitrile?
The CAS number of 2-((1-Methyl-1H-pyrazol-5-yl)methylene)malononitrile is 1005675-89-7.
What is the molecular formula of 2-((1-Methyl-1H-pyrazol-5-yl)methylene)malononitrile?
The molecular formula of 2-((1-Methyl-1H-pyrazol-5-yl)methylene)malononitrile is C8H6N4.
What is the molecular weight of 2-((1-Methyl-1H-pyrazol-5-yl)methylene)malononitrile?
The molecular weight of 2-((1-Methyl-1H-pyrazol-5-yl)methylene)malononitrile is 158.06 g/mol.
Where can I buy 2-((1-Methyl-1H-pyrazol-5-yl)methylene)malononitrile?
You can request a quote for 2-((1-Methyl-1H-pyrazol-5-yl)methylene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1-Methyl-1H-pyrazol-5-yl)methylene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-Methyl-1H-pyrazol-5-yl)methylene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.