N-allyl-2-{3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide
TL;DR: N-allyl-2-{3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide (CAS 957294-45-0) is a chemical compound with molecular formula C9H12N4O3 and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methyl-3-nitropyrazol-1-yl)-N-prop-2-enylacetamide
Also Known As: N-allyl-2-{3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide, 2-(5-methyl-3-nitropyrazol-1-yl)-N-prop-2-enylacetamide, 2-(5-methyl-3-nitropyrazolyl)-N-prop-2-enylacetamide, N~1~-ALLYL-2-(5-METHYL-3-NITRO-1H-PYRAZOL-1-YL)ACETAMIDE
| Molecular Formula | C9H12N4O3 |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | 0.40192 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.09094 |
| Heavy Atoms | 16 |
| Complexity | 424.38864 |
Chemical Identifiers
| CAS Number | 957294-45-0 |
|---|---|
| SMILES | CC1=CC(=NN1CC(=O)NCC=C)[N+](=O)[O-] |
Product Overview
N-allyl-2-{3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide (CAS 957294-45-0), with molecular formula C9H12N4O3 and molecular weight 224.09 g/mol. IUPAC: 2-(5-methyl-3-nitropyrazol-1-yl)-N-prop-2-enylacetamide.
Chemical Property Profile of N-allyl-2-{3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide
Property Insights of N-allyl-2-{3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide
The XLogP value of 0.40192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-2-{3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-allyl-2-{3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide. Following Lipinski's Rule of Five, N-allyl-2-{3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide 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 N-allyl-2-{3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide?
The CAS number of N-allyl-2-{3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide is 957294-45-0.
What is the molecular formula of N-allyl-2-{3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide?
The molecular formula of N-allyl-2-{3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide is C9H12N4O3.
What is the molecular weight of N-allyl-2-{3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide?
The molecular weight of N-allyl-2-{3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide is 224.09 g/mol.
Where can I buy N-allyl-2-{3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide?
You can request a quote for N-allyl-2-{3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-2-{3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-2-{3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.