3,5-Dimethyl-4-nitro-1-phenyl-1H-pyrazole
TL;DR: 3,5-Dimethyl-4-nitro-1-phenyl-1H-pyrazole (CAS 5809-38-1) is a chemical compound with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-4-nitro-1-phenylpyrazole
Also Known As: 3,5-Dimethyl-4-nitro-1-phenyl-1H-pyrazole, 3,5-dimethyl-4-nitro-1-phenylpyrazole, BAS 00641819, 1-Phenyl-3,5-dimethyl-4-nitro-1H-pyrazole, J2.421.494J
| Molecular Formula | C11H11N3O2 |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 2.39734 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.08513 |
| Heavy Atoms | 16 |
| Complexity | 531.6627 |
Chemical Identifiers
| CAS Number | 5809-38-1 |
|---|---|
| SMILES | CC1=C(C(=NN1C2=CC=CC=C2)C)[N+](=O)[O-] |
Product Overview
3,5-Dimethyl-4-nitro-1-phenyl-1H-pyrazole (CAS 5809-38-1), with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol. IUPAC: 3,5-dimethyl-4-nitro-1-phenylpyrazole.
Chemical Property Profile of 3,5-Dimethyl-4-nitro-1-phenyl-1H-pyrazole
Property Insights of 3,5-Dimethyl-4-nitro-1-phenyl-1H-pyrazole
The XLogP value of 2.39734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-4-nitro-1-phenyl-1H-pyrazole. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethyl-4-nitro-1-phenyl-1H-pyrazole. Following Lipinski's Rule of Five, 3,5-Dimethyl-4-nitro-1-phenyl-1H-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-4-nitro-1-phenyl-1H-pyrazole?
The CAS number of 3,5-Dimethyl-4-nitro-1-phenyl-1H-pyrazole is 5809-38-1.
What is the molecular formula of 3,5-Dimethyl-4-nitro-1-phenyl-1H-pyrazole?
The molecular formula of 3,5-Dimethyl-4-nitro-1-phenyl-1H-pyrazole is C11H11N3O2.
What is the molecular weight of 3,5-Dimethyl-4-nitro-1-phenyl-1H-pyrazole?
The molecular weight of 3,5-Dimethyl-4-nitro-1-phenyl-1H-pyrazole is 217.09 g/mol.
Where can I buy 3,5-Dimethyl-4-nitro-1-phenyl-1H-pyrazole?
You can request a quote for 3,5-Dimethyl-4-nitro-1-phenyl-1H-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-4-nitro-1-phenyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-4-nitro-1-phenyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.