![4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzonitrile structure](/static/products/882/882230-46-8.png)
4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzonitrile
TL;DR: 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzonitrile (CAS 882230-46-8) is a chemical compound with molecular formula C13H12N4O2 and molecular weight 256.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzonitrile
Also Known As: 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzonitrile, 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzonitrile
| Molecular Formula | C13H12N4O2 |
|---|---|
| Molecular Weight | 256.10 g/mol |
| LogP | 2.32812 |
| Topological Polar Surface Area | 84.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.09604 |
| Heavy Atoms | 19 |
| Complexity | 665.1871 |
Chemical Identifiers
| CAS Number | 882230-46-8 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC=C(C=C2)C#N)C)[N+](=O)[O-] |
Product Overview
4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzonitrile (CAS 882230-46-8), with molecular formula C13H12N4O2 and molecular weight 256.10 g/mol. IUPAC: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzonitrile.
Chemical Property Profile of 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzonitrile
Property Insights of 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzonitrile
The XLogP value of 2.32812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3,5-dimethyl-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 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzonitrile. Following Lipinski's Rule of Five, 4-[(3,5-dimethyl-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 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzonitrile?
The CAS number of 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzonitrile is 882230-46-8.
What is the molecular formula of 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzonitrile?
The molecular formula of 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzonitrile is C13H12N4O2.
What is the molecular weight of 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzonitrile?
The molecular weight of 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzonitrile is 256.10 g/mol.
Where can I buy 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzonitrile?
You can request a quote for 4-[(3,5-dimethyl-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 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.