![3,5-Dimethyl-4-nitro-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazole structure](/static/products/957/957481-97-9.png)
3,5-Dimethyl-4-nitro-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazole
TL;DR: 3,5-Dimethyl-4-nitro-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazole (CAS 957481-97-9) is a chemical compound with molecular formula C12H8F5N3O2 and molecular weight 321.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-4-nitro-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazole
Also Known As: 3,5-dimethyl-4-nitro-1-(pentafluorobenzyl)-1H-pyrazole, 3,5-dimethyl-4-nitro-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazole, 3,5-Dimethyl-4-nitro-1-((perfluorophenyl)methyl)-1H-pyrazole, 3,5-dimethyl-4-nitro-1-[(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrazole, 3,5-DIMETHYL-4-NITRO-1-(2,3,4,5,6-PENTAFLUOROBENZYL)-1H-PYRAZOLE
| Molecular Formula | C12H8F5N3O2 |
|---|---|
| Molecular Weight | 321.05 g/mol |
| LogP | 3.15194 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.05368 |
| Heavy Atoms | 22 |
| Complexity | 758.7945 |
Chemical Identifiers
| CAS Number | 957481-97-9 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)C)[N+](=O)[O-] |
Product Overview
3,5-Dimethyl-4-nitro-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazole (CAS 957481-97-9), with molecular formula C12H8F5N3O2 and molecular weight 321.05 g/mol. IUPAC: 3,5-dimethyl-4-nitro-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazole.
Chemical Property Profile of 3,5-Dimethyl-4-nitro-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazole
Property Insights of 3,5-Dimethyl-4-nitro-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazole
The XLogP value of 3.15194 indicates that 3,5-Dimethyl-4-nitro-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethyl-4-nitro-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazole. Following Lipinski's Rule of Five, 3,5-Dimethyl-4-nitro-1-[(2,3,4,5,6-pentafluorophenyl)methyl]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-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazole?
The CAS number of 3,5-Dimethyl-4-nitro-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazole is 957481-97-9.
What is the molecular formula of 3,5-Dimethyl-4-nitro-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazole?
The molecular formula of 3,5-Dimethyl-4-nitro-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazole is C12H8F5N3O2.
What is the molecular weight of 3,5-Dimethyl-4-nitro-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazole?
The molecular weight of 3,5-Dimethyl-4-nitro-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazole is 321.05 g/mol.
Where can I buy 3,5-Dimethyl-4-nitro-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazole?
You can request a quote for 3,5-Dimethyl-4-nitro-1-[(2,3,4,5,6-pentafluorophenyl)methyl]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-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-4-nitro-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.