2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-ethylacetamide
TL;DR: 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-ethylacetamide (CAS 956040-37-2) is a chemical compound with molecular formula C9H14N4O3 and molecular weight 226.11 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-ethylacetamide
Also Known As: 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-ethylacetamide, 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-ethylacetamide
| Molecular Formula | C9H14N4O3 |
|---|---|
| Molecular Weight | 226.11 g/mol |
| LogP | 0.54424 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.1066 |
| Heavy Atoms | 16 |
| Complexity | 424.63373 |
Chemical Identifiers
| CAS Number | 956040-37-2 |
|---|---|
| SMILES | CCNC(=O)CN1C(=C(C(=N1)C)[N+](=O)[O-])C |
Product Overview
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-ethylacetamide (CAS 956040-37-2), with molecular formula C9H14N4O3 and molecular weight 226.11 g/mol. IUPAC: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-ethylacetamide.
Chemical Property Profile of 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-ethylacetamide
Property Insights of 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-ethylacetamide
The XLogP value of 0.54424 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-ethylacetamide. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-ethylacetamide. Following Lipinski's Rule of Five, 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-ethylacetamide 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 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-ethylacetamide?
The CAS number of 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-ethylacetamide is 956040-37-2.
What is the molecular formula of 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-ethylacetamide?
The molecular formula of 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-ethylacetamide is C9H14N4O3.
What is the molecular weight of 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-ethylacetamide?
The molecular weight of 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-ethylacetamide is 226.11 g/mol.
Where can I buy 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-ethylacetamide?
You can request a quote for 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-ethylacetamide 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-nitro-1H-pyrazol-1-yl)-N-ethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-ethylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.