3-(Heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole
TL;DR: 3-(Heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole (CAS 82633-69-0) is a chemical compound with molecular formula C7H4F7N3O2 and molecular weight 295.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole
Also Known As: 5-Methyl-4-nitro-3-(perfluoropropyl)-1H-pyrazole, 3-Heptafluoropropyl-5-methyl-4-nitropyrazole, 3(5)-Heptafluoropropyl-5(3)-methyl-4-nitropyrazole, 3-(heptafluoro-n-propyl)-5-methyl-4-nitropyrazole, 3-(heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole
| Molecular Formula | C7H4F7N3O2 |
|---|---|
| Molecular Weight | 295.02 g/mol |
| LogP | 2.91572 |
| Topological Polar Surface Area | 71.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.01917 |
| Heavy Atoms | 19 |
| Complexity | 507.27963 |
Chemical Identifiers
| CAS Number | 82633-69-0 |
|---|---|
| SMILES | CC1=C(C(=NN1)C(C(C(F)(F)F)(F)F)(F)F)[N+](=O)[O-] |
Product Overview
3-(Heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole (CAS 82633-69-0), with molecular formula C7H4F7N3O2 and molecular weight 295.02 g/mol. IUPAC: 3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole.
Chemical Property Profile of 3-(Heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole
Property Insights of 3-(Heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole
The XLogP value of 2.91572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole. The TPSA of 71.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole. Following Lipinski's Rule of Five, 3-(Heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole has 1 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-(Heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole?
The CAS number of 3-(Heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole is 82633-69-0.
What is the molecular formula of 3-(Heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole?
The molecular formula of 3-(Heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole is C7H4F7N3O2.
What is the molecular weight of 3-(Heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole?
The molecular weight of 3-(Heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole is 295.02 g/mol.
Where can I buy 3-(Heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole?
You can request a quote for 3-(Heptafluoropropyl)-5-methyl-4-nitro-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-(Heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(Heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.