2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(5-methylisoxazol-3-yl)acetamide
TL;DR: 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(5-methylisoxazol-3-yl)acetamide (CAS 956752-38-8) is a chemical compound with molecular formula C11H13N5O4 and molecular weight 279.10 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-(5-methyl-1,2-oxazol-3-yl)acetamide
Also Known As: 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(5-methylisoxazol-3-yl)acetamide, 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(5-methyl-3-isoxazolyl)acetamide, 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
| Molecular Formula | C11H13N5O4 |
|---|---|
| Molecular Weight | 279.10 g/mol |
| LogP | 1.34326 |
| Topological Polar Surface Area | 116.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.09674 |
| Heavy Atoms | 20 |
| Complexity | 672.4066 |
Chemical Identifiers
| CAS Number | 956752-38-8 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C |
Product Overview
2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(5-methylisoxazol-3-yl)acetamide (CAS 956752-38-8), with molecular formula C11H13N5O4 and molecular weight 279.10 g/mol. IUPAC: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
Chemical Property Profile of 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(5-methylisoxazol-3-yl)acetamide
Property Insights of 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(5-methylisoxazol-3-yl)acetamide
The XLogP value of 1.34326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(5-methylisoxazol-3-yl)acetamide. The TPSA of 116.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(5-methylisoxazol-3-yl)acetamide. Following Lipinski's Rule of Five, 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(5-methylisoxazol-3-yl)acetamide has 1 hydrogen bond donor(s) and 6 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-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(5-methylisoxazol-3-yl)acetamide?
The CAS number of 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(5-methylisoxazol-3-yl)acetamide is 956752-38-8.
What is the molecular formula of 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(5-methylisoxazol-3-yl)acetamide?
The molecular formula of 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(5-methylisoxazol-3-yl)acetamide is C11H13N5O4.
What is the molecular weight of 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(5-methylisoxazol-3-yl)acetamide?
The molecular weight of 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(5-methylisoxazol-3-yl)acetamide is 279.10 g/mol.
Where can I buy 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(5-methylisoxazol-3-yl)acetamide?
You can request a quote for 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(5-methylisoxazol-3-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-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(5-methylisoxazol-3-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(5-methylisoxazol-3-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.