![2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]propanedinitrile structure](/static/products/4777/477710-85-3.webp)
2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]propanedinitrile
TL;DR: 2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]propanedinitrile (CAS 477710-85-3) is a chemical compound with molecular formula C13H8N4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]propanedinitrile
Also Known As: 2-[(3-phenyl-1H-pyrazol-4-yl)methylidene]propanedinitrile, 2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]propanedinitrile, 2P-008, 2-[(3-phenyl-1H-pyrazol-4-yl)methylene]malononitrile
| Molecular Formula | C13H8N4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 2.50726 |
| Topological Polar Surface Area | 76.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.07489 |
| Heavy Atoms | 17 |
| Complexity | 607.4293 |
Chemical Identifiers
| CAS Number | 477710-85-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C=NN2)C=C(C#N)C#N |
Product Overview
2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]propanedinitrile (CAS 477710-85-3), with molecular formula C13H8N4 and molecular weight 220.07 g/mol. IUPAC: 2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]propanedinitrile.
Chemical Property Profile of 2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]propanedinitrile
Property Insights of 2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]propanedinitrile
The XLogP value of 2.50726 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]propanedinitrile. The TPSA of 76.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]propanedinitrile. Following Lipinski's Rule of Five, 2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]propanedinitrile has 1 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-[(5-phenyl-1H-pyrazol-4-yl)methylidene]propanedinitrile?
The CAS number of 2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]propanedinitrile is 477710-85-3.
What is the molecular formula of 2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]propanedinitrile?
The molecular formula of 2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]propanedinitrile is C13H8N4.
What is the molecular weight of 2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]propanedinitrile?
The molecular weight of 2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]propanedinitrile is 220.07 g/mol.
Where can I buy 2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]propanedinitrile?
You can request a quote for 2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.