1-ethyl-N-(2-methoxy-5-nitrophenyl)-4-nitropyrazole-3-carboxamide
TL;DR: 1-ethyl-N-(2-methoxy-5-nitrophenyl)-4-nitropyrazole-3-carboxamide (CAS 515176-67-7) is a chemical compound with molecular formula C13H13N5O6 and molecular weight 335.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-N-(2-methoxy-5-nitrophenyl)-4-nitropyrazole-3-carboxamide
Also Known As: 1-ethyl-N-(2-methoxy-5-nitrophenyl)-4-nitropyrazole-3-carboxamide, 1-ethyl-4-nitro-N-{5-nitro-2-methoxyphenyl}-1H-pyrazole-3-carboxamide, 1-ETHYL-N~3~-(2-METHOXY-5-NITROPHENYL)-4-NITRO-1H-PYRAZOLE-3-CARBOXAMIDE
| Molecular Formula | C13H13N5O6 |
|---|---|
| Molecular Weight | 335.09 g/mol |
| LogP | 1.9803 |
| Topological Polar Surface Area | 142.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.08658 |
| Heavy Atoms | 24 |
| Complexity | 815.1788 |
Chemical Identifiers
| CAS Number | 515176-67-7 |
|---|---|
| SMILES | CCN1C=C(C(=N1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)[N+](=O)[O-] |
Product Overview
1-ethyl-N-(2-methoxy-5-nitrophenyl)-4-nitropyrazole-3-carboxamide (CAS 515176-67-7), with molecular formula C13H13N5O6 and molecular weight 335.09 g/mol. IUPAC: 1-ethyl-N-(2-methoxy-5-nitrophenyl)-4-nitropyrazole-3-carboxamide.
Chemical Property Profile of 1-ethyl-N-(2-methoxy-5-nitrophenyl)-4-nitropyrazole-3-carboxamide
Property Insights of 1-ethyl-N-(2-methoxy-5-nitrophenyl)-4-nitropyrazole-3-carboxamide
The XLogP value of 1.9803 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-ethyl-N-(2-methoxy-5-nitrophenyl)-4-nitropyrazole-3-carboxamide. The TPSA of 142.43 Ų indicates high polarity, suggesting 1-ethyl-N-(2-methoxy-5-nitrophenyl)-4-nitropyrazole-3-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-ethyl-N-(2-methoxy-5-nitrophenyl)-4-nitropyrazole-3-carboxamide has 1 hydrogen bond donor(s) and 7 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 1-ethyl-N-(2-methoxy-5-nitrophenyl)-4-nitropyrazole-3-carboxamide?
The CAS number of 1-ethyl-N-(2-methoxy-5-nitrophenyl)-4-nitropyrazole-3-carboxamide is 515176-67-7.
What is the molecular formula of 1-ethyl-N-(2-methoxy-5-nitrophenyl)-4-nitropyrazole-3-carboxamide?
The molecular formula of 1-ethyl-N-(2-methoxy-5-nitrophenyl)-4-nitropyrazole-3-carboxamide is C13H13N5O6.
What is the molecular weight of 1-ethyl-N-(2-methoxy-5-nitrophenyl)-4-nitropyrazole-3-carboxamide?
The molecular weight of 1-ethyl-N-(2-methoxy-5-nitrophenyl)-4-nitropyrazole-3-carboxamide is 335.09 g/mol.
Where can I buy 1-ethyl-N-(2-methoxy-5-nitrophenyl)-4-nitropyrazole-3-carboxamide?
You can request a quote for 1-ethyl-N-(2-methoxy-5-nitrophenyl)-4-nitropyrazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-ethyl-N-(2-methoxy-5-nitrophenyl)-4-nitropyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-ethyl-N-(2-methoxy-5-nitrophenyl)-4-nitropyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.