![N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide structure](/static/products/5128/512808-43-4.webp)
N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide
TL;DR: N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide (CAS 512808-43-4) is a chemical compound with molecular formula C18H15F5N6O3 and molecular weight 458.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-1-ethyl-4-nitropyrazole-3-carboxamide
Also Known As: N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide, N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-1-ethyl-4-nitropyrazole-3-carboxamide, N-[3,5-dimethyl-1-(pentafluorobenzyl)-1H-pyrazol-4-yl]-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide
| Molecular Formula | C18H15F5N6O3 |
|---|---|
| Molecular Weight | 458.11 g/mol |
| LogP | 3.62064 |
| Topological Polar Surface Area | 107.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.11258 |
| Heavy Atoms | 32 |
| Complexity | 1223.6892 |
Chemical Identifiers
| CAS Number | 512808-43-4 |
|---|---|
| SMILES | CCN1C=C(C(=N1)C(=O)NC2=C(N(N=C2C)CC3=C(C(=C(C(=C3F)F)F)F)F)C)[N+](=O)[O-] |
Product Overview
N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide (CAS 512808-43-4), with molecular formula C18H15F5N6O3 and molecular weight 458.11 g/mol. IUPAC: N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-1-ethyl-4-nitropyrazole-3-carboxamide.
Chemical Property Profile of N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide
Property Insights of N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide
The XLogP value of 3.62064 indicates that N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.88 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide. Following Lipinski's Rule of Five, N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide has 1 hydrogen bond donor(s) and 5 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 N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide?
The CAS number of N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide is 512808-43-4.
What is the molecular formula of N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide?
The molecular formula of N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide is C18H15F5N6O3.
What is the molecular weight of N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide?
The molecular weight of N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide is 458.11 g/mol.
Where can I buy N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide?
You can request a quote for N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.