![N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3,5-bisnitrobenzamide structure](/static/products/496/496834-49-2.png)
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3,5-bisnitrobenzamide
TL;DR: N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3,5-bisnitrobenzamide (CAS 496834-49-2) 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-[(1-ethylpyrazol-4-yl)methyl]-3,5-dinitrobenzamide
Also Known As: N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3,5-bisnitrobenzamide, N-[(1-ethylpyrazol-4-yl)methyl]-3,5-dinitrobenzamide, N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3,5-dinitrobenzamide, (3,5-dinitrophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]carboxamide
| Molecular Formula | C13H13N5O5 |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 1.6494 |
| 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 | 737.6158 |
Chemical Identifiers
| CAS Number | 496834-49-2 |
|---|---|
| SMILES | CCN1C=C(C=N1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3,5-bisnitrobenzamide (CAS 496834-49-2), with molecular formula C13H13N5O5 and molecular weight 319.09 g/mol. IUPAC: N-[(1-ethylpyrazol-4-yl)methyl]-3,5-dinitrobenzamide.
Chemical Property Profile of N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3,5-bisnitrobenzamide
Property Insights of N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3,5-bisnitrobenzamide
The XLogP value of 1.6494 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3,5-bisnitrobenzamide. The TPSA of 133.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3,5-bisnitrobenzamide. Following Lipinski's Rule of Five, N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3,5-bisnitrobenzamide 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-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3,5-bisnitrobenzamide?
The CAS number of N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3,5-bisnitrobenzamide is 496834-49-2.
What is the molecular formula of N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3,5-bisnitrobenzamide?
The molecular formula of N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3,5-bisnitrobenzamide is C13H13N5O5.
What is the molecular weight of N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3,5-bisnitrobenzamide?
The molecular weight of N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3,5-bisnitrobenzamide is 319.09 g/mol.
Where can I buy N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3,5-bisnitrobenzamide?
You can request a quote for N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3,5-bisnitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3,5-bisnitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3,5-bisnitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.