![N-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-1-methyl-4-nitropyrazole-3-carboxamide structure](/static/products/4968/496835-17-7.webp)
N-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-1-methyl-4-nitropyrazole-3-carboxamide
TL;DR: N-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-1-methyl-4-nitropyrazole-3-carboxamide (CAS 496835-17-7) is a chemical compound with molecular formula C16H19F3N6O3S and molecular weight 432.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-1-methyl-4-nitropyrazole-3-carboxamide
Also Known As: N-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-1-methyl-4-nitropyrazole-3-carboxamide, N-(2-{[4-tert-butyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}ethyl)-4-nitro-1-methyl-1H-pyrazole-3-carboxamide, N-(2-{[4-(TERT-BUTYL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]SULFANYL}ETHYL)-1-METHYL-4-NITRO-1H-PYRAZOLE-3-CARBOXAMIDE, N-(2-{[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
| Molecular Formula | C16H19F3N6O3S |
|---|---|
| Molecular Weight | 432.12 g/mol |
| LogP | 2.9567 |
| Topological Polar Surface Area | 115.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.11914 |
| Heavy Atoms | 29 |
| Complexity | 891.3496 |
Chemical Identifiers
| CAS Number | 496835-17-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=NC(=N1)SCCNC(=O)C2=NN(C=C2[N+](=O)[O-])C)C(F)(F)F |
Product Overview
N-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-1-methyl-4-nitropyrazole-3-carboxamide (CAS 496835-17-7), with molecular formula C16H19F3N6O3S and molecular weight 432.12 g/mol. IUPAC: N-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-1-methyl-4-nitropyrazole-3-carboxamide.
Chemical Property Profile of N-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-1-methyl-4-nitropyrazole-3-carboxamide
Property Insights of N-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-1-methyl-4-nitropyrazole-3-carboxamide
The XLogP value of 2.9567 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-1-methyl-4-nitropyrazole-3-carboxamide. The TPSA of 115.84 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-1-methyl-4-nitropyrazole-3-carboxamide. Following Lipinski's Rule of Five, N-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-1-methyl-4-nitropyrazole-3-carboxamide has 1 hydrogen bond donor(s) and 7 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-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-1-methyl-4-nitropyrazole-3-carboxamide?
The CAS number of N-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-1-methyl-4-nitropyrazole-3-carboxamide is 496835-17-7.
What is the molecular formula of N-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-1-methyl-4-nitropyrazole-3-carboxamide?
The molecular formula of N-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-1-methyl-4-nitropyrazole-3-carboxamide is C16H19F3N6O3S.
What is the molecular weight of N-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-1-methyl-4-nitropyrazole-3-carboxamide?
The molecular weight of N-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-1-methyl-4-nitropyrazole-3-carboxamide is 432.12 g/mol.
Where can I buy N-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-1-methyl-4-nitropyrazole-3-carboxamide?
You can request a quote for N-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-1-methyl-4-nitropyrazole-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-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-1-methyl-4-nitropyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-1-methyl-4-nitropyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.