4-nitro-1-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide
TL;DR: 4-nitro-1-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide (CAS 514816-01-4) is a chemical compound with molecular formula C11H5F5N4O3 and molecular weight 336.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-nitro-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-5-carboxamide
Also Known As: 4-nitro-1-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide, 1-methyl-4-nitro-N-(pentafluorophenyl)-1H-pyrazole-5-carboxamide, 2-methyl-4-nitro-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3-carboxamide, 1-METHYL-4-NITRO-N-(2,3,4,5,6-PENTAFLUOROPHENYL)-1H-PYRAZOLE-5-CARBOXAMIDE
| Molecular Formula | C11H5F5N4O3 |
|---|---|
| Molecular Weight | 336.03 g/mol |
| LogP | 2.2761 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.02817 |
| Heavy Atoms | 23 |
| Complexity | 806.5499 |
Chemical Identifiers
| CAS Number | 514816-01-4 |
|---|---|
| SMILES | CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=C(C(=C(C(=C2F)F)F)F)F |
Product Overview
4-nitro-1-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide (CAS 514816-01-4), with molecular formula C11H5F5N4O3 and molecular weight 336.03 g/mol. IUPAC: 1-methyl-4-nitro-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-5-carboxamide.
Chemical Property Profile of 4-nitro-1-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide
Property Insights of 4-nitro-1-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide
The XLogP value of 2.2761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-nitro-1-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitro-1-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide. Following Lipinski's Rule of Five, 4-nitro-1-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide has 1 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-nitro-1-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide?
The CAS number of 4-nitro-1-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide is 514816-01-4.
What is the molecular formula of 4-nitro-1-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide?
The molecular formula of 4-nitro-1-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide is C11H5F5N4O3.
What is the molecular weight of 4-nitro-1-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide?
The molecular weight of 4-nitro-1-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide is 336.03 g/mol.
Where can I buy 4-nitro-1-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide?
You can request a quote for 4-nitro-1-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitro-1-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-nitro-1-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.