N-benzyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide
TL;DR: N-benzyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide (CAS 353455-14-8) is a chemical compound with molecular formula C13H13N5O5 and molecular weight 319.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
Also Known As: N-benzyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide, BAS 00398080, N-benzyl-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide, F0346-2716, N-Benzyl-2-(5-methyl-3,4-dinitro-pyrazol-1-yl)-acetamide
| Molecular Formula | C13H13N5O5 |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 1.32432 |
| Topological Polar Surface Area | 133.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.09167 |
| Heavy Atoms | 23 |
| Complexity | 755.6158 |
Chemical Identifiers
| CAS Number | 353455-14-8 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NCC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-benzyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide (CAS 353455-14-8), with molecular formula C13H13N5O5 and molecular weight 319.09 g/mol. IUPAC: N-benzyl-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide.
Chemical Property Profile of N-benzyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide
Property Insights of N-benzyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide
The XLogP value of 1.32432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide. The TPSA of 133.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide. Following Lipinski's Rule of Five, N-benzyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-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 N-benzyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide?
The CAS number of N-benzyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide is 353455-14-8.
What is the molecular formula of N-benzyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide?
The molecular formula of N-benzyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide is C13H13N5O5.
What is the molecular weight of N-benzyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide?
The molecular weight of N-benzyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide is 319.09 g/mol.
Where can I buy N-benzyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide?
You can request a quote for N-benzyl-2-(5-methyl-3,4-dinitro-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-benzyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.