![3,5-Dimethyl-1-[1-(4-methylphenyl)-2-nitroethyl]pyrazole structure](/static/products/956/956920-82-4.png)
3,5-Dimethyl-1-[1-(4-methylphenyl)-2-nitroethyl]pyrazole
TL;DR: 3,5-Dimethyl-1-[1-(4-methylphenyl)-2-nitroethyl]pyrazole (CAS 956920-82-4) is a chemical compound with molecular formula C14H17N3O2 and molecular weight 259.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-1-[1-(4-methylphenyl)-2-nitroethyl]pyrazole
Also Known As: 3,5-dimethyl-1-[1-(4-methylphenyl)-2-nitroethyl]pyrazole, 3,5-dimethyl-1-[1-(4-methylphenyl)-2-nitroethyl]-1H-pyrazole, 1-[2-nitro-1-(4-methylphenyl)ethyl]-3,5-dimethyl-1H-pyrazole, AP-906/41650521, 3,5-dimethyl-1-[2-nitro-1-(p-tolyl)ethyl]pyrazole
| Molecular Formula | C14H17N3O2 |
|---|---|
| Molecular Weight | 259.13 g/mol |
| LogP | 2.67446 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.13208 |
| Heavy Atoms | 19 |
| Complexity | 587.2386 |
Chemical Identifiers
| CAS Number | 956920-82-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C[N+](=O)[O-])N2C(=CC(=N2)C)C |
Product Overview
3,5-Dimethyl-1-[1-(4-methylphenyl)-2-nitroethyl]pyrazole (CAS 956920-82-4), with molecular formula C14H17N3O2 and molecular weight 259.13 g/mol. IUPAC: 3,5-dimethyl-1-[1-(4-methylphenyl)-2-nitroethyl]pyrazole.
Chemical Property Profile of 3,5-Dimethyl-1-[1-(4-methylphenyl)-2-nitroethyl]pyrazole
Property Insights of 3,5-Dimethyl-1-[1-(4-methylphenyl)-2-nitroethyl]pyrazole
The XLogP value of 2.67446 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-1-[1-(4-methylphenyl)-2-nitroethyl]pyrazole. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethyl-1-[1-(4-methylphenyl)-2-nitroethyl]pyrazole. Following Lipinski's Rule of Five, 3,5-Dimethyl-1-[1-(4-methylphenyl)-2-nitroethyl]pyrazole 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 3,5-Dimethyl-1-[1-(4-methylphenyl)-2-nitroethyl]pyrazole?
The CAS number of 3,5-Dimethyl-1-[1-(4-methylphenyl)-2-nitroethyl]pyrazole is 956920-82-4.
What is the molecular formula of 3,5-Dimethyl-1-[1-(4-methylphenyl)-2-nitroethyl]pyrazole?
The molecular formula of 3,5-Dimethyl-1-[1-(4-methylphenyl)-2-nitroethyl]pyrazole is C14H17N3O2.
What is the molecular weight of 3,5-Dimethyl-1-[1-(4-methylphenyl)-2-nitroethyl]pyrazole?
The molecular weight of 3,5-Dimethyl-1-[1-(4-methylphenyl)-2-nitroethyl]pyrazole is 259.13 g/mol.
Where can I buy 3,5-Dimethyl-1-[1-(4-methylphenyl)-2-nitroethyl]pyrazole?
You can request a quote for 3,5-Dimethyl-1-[1-(4-methylphenyl)-2-nitroethyl]pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-1-[1-(4-methylphenyl)-2-nitroethyl]pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-1-[1-(4-methylphenyl)-2-nitroethyl]pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.