![3-[(4-Nitro-1H-pyrazol-1-yl)methyl]benzonitrile structure](/static/products/957/957501-01-8.png)
3-[(4-Nitro-1H-pyrazol-1-yl)methyl]benzonitrile
TL;DR: 3-[(4-Nitro-1H-pyrazol-1-yl)methyl]benzonitrile (CAS 957501-01-8) is a chemical compound with molecular formula C11H8N4O2 and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-nitropyrazol-1-yl)methyl]benzonitrile
Also Known As: 3-[(4-Nitro-1H-pyrazol-1-yl)methyl]benzonitrile, 3-[(4-nitropyrazol-1-yl)methyl]benzonitrile, 3-((4-Nitro-1H-pyrazol-1-yl)methyl)benzonitrile, 3-[(4-nitropyrazolyl)methyl]benzenecarbonitrile
| Molecular Formula | C11H8N4O2 |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 1.71128 |
| Topological Polar Surface Area | 84.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.06473 |
| Heavy Atoms | 17 |
| Complexity | 597.51404 |
Chemical Identifiers
| CAS Number | 957501-01-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C#N)CN2C=C(C=N2)[N+](=O)[O-] |
Product Overview
3-[(4-Nitro-1H-pyrazol-1-yl)methyl]benzonitrile (CAS 957501-01-8), with molecular formula C11H8N4O2 and molecular weight 228.06 g/mol. IUPAC: 3-[(4-nitropyrazol-1-yl)methyl]benzonitrile.
Chemical Property Profile of 3-[(4-Nitro-1H-pyrazol-1-yl)methyl]benzonitrile
Property Insights of 3-[(4-Nitro-1H-pyrazol-1-yl)methyl]benzonitrile
The XLogP value of 1.71128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Nitro-1H-pyrazol-1-yl)methyl]benzonitrile. The TPSA of 84.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Nitro-1H-pyrazol-1-yl)methyl]benzonitrile. Following Lipinski's Rule of Five, 3-[(4-Nitro-1H-pyrazol-1-yl)methyl]benzonitrile has 0 hydrogen bond donor(s) and 4 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-[(4-Nitro-1H-pyrazol-1-yl)methyl]benzonitrile?
The CAS number of 3-[(4-Nitro-1H-pyrazol-1-yl)methyl]benzonitrile is 957501-01-8.
What is the molecular formula of 3-[(4-Nitro-1H-pyrazol-1-yl)methyl]benzonitrile?
The molecular formula of 3-[(4-Nitro-1H-pyrazol-1-yl)methyl]benzonitrile is C11H8N4O2.
What is the molecular weight of 3-[(4-Nitro-1H-pyrazol-1-yl)methyl]benzonitrile?
The molecular weight of 3-[(4-Nitro-1H-pyrazol-1-yl)methyl]benzonitrile is 228.06 g/mol.
Where can I buy 3-[(4-Nitro-1H-pyrazol-1-yl)methyl]benzonitrile?
You can request a quote for 3-[(4-Nitro-1H-pyrazol-1-yl)methyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Nitro-1H-pyrazol-1-yl)methyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Nitro-1H-pyrazol-1-yl)methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.