![2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide structure](/static/products/5128/512814-72-1.webp)
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide
TL;DR: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide (CAS 512814-72-1) is a chemical compound with molecular formula C19H17F5N6O3 and molecular weight 472.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide
Also Known As: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide, 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3,5-dimethyl-1-(pentafluorobenzyl)-1H-pyrazol-4-yl]acetamide, 2-(3,5-DIMETHYL-4-NITRO-1H-PYRAZOL-1-YL)-N-[3,5-DIMETHYL-1-(2,3,4,5,6-PENTAFLUOROBENZYL)-1H-PYRAZOL-4-YL]ACETAMIDE, N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}acetamide
| Molecular Formula | C19H17F5N6O3 |
|---|---|
| Molecular Weight | 472.13 g/mol |
| LogP | 3.60398 |
| Topological Polar Surface Area | 107.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.12823 |
| Heavy Atoms | 33 |
| Complexity | 1271.0472 |
Chemical Identifiers
| CAS Number | 512814-72-1 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)C)NC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C |
Product Overview
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide (CAS 512814-72-1), with molecular formula C19H17F5N6O3 and molecular weight 472.13 g/mol. IUPAC: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide.
Chemical Property Profile of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide
Property Insights of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide
The XLogP value of 3.60398 indicates that 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide 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 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide. Following Lipinski's Rule of Five, 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide 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 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide?
The CAS number of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide is 512814-72-1.
What is the molecular formula of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide?
The molecular formula of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide is C19H17F5N6O3.
What is the molecular weight of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide?
The molecular weight of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide is 472.13 g/mol.
Where can I buy 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide?
You can request a quote for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.