1-methyl-4-nitro-N-(3-nitro-5-phenoxyphenyl)pyrazole-3-carboxamide
TL;DR: 1-methyl-4-nitro-N-(3-nitro-5-phenoxyphenyl)pyrazole-3-carboxamide (CAS 482574-82-3) is a chemical compound with molecular formula C17H13N5O6 and molecular weight 383.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-nitro-N-(3-nitro-5-phenoxyphenyl)pyrazole-3-carboxamide
Also Known As: BAS 00669228, 1-methyl-4-nitro-N-(3-nitro-5-phenoxyphenyl)pyrazole-3-carboxamide, 1-methyl-4-nitro-N-(3-nitro-5-phenoxyphenyl)-1H-pyrazole-3-carboxamide, 1-Methyl-4-nitro-1H-pyrazole-3-carboxylic acid (3-nitro-5-phenoxy-phenyl)-amide, 4-nitro-N-{3-nitro-5-phenoxyphenyl}-1-methyl-1H-pyrazole-3-carboxamide
| Molecular Formula | C17H13N5O6 |
|---|---|
| Molecular Weight | 383.09 g/mol |
| LogP | 3.2811 |
| Topological Polar Surface Area | 142.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.08658 |
| Heavy Atoms | 28 |
| Complexity | 1063.1549 |
Chemical Identifiers
| CAS Number | 482574-82-3 |
|---|---|
| SMILES | CN1C=C(C(=N1)C(=O)NC2=CC(=CC(=C2)OC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1-methyl-4-nitro-N-(3-nitro-5-phenoxyphenyl)pyrazole-3-carboxamide (CAS 482574-82-3), with molecular formula C17H13N5O6 and molecular weight 383.09 g/mol. IUPAC: 1-methyl-4-nitro-N-(3-nitro-5-phenoxyphenyl)pyrazole-3-carboxamide.
Chemical Property Profile of 1-methyl-4-nitro-N-(3-nitro-5-phenoxyphenyl)pyrazole-3-carboxamide
Property Insights of 1-methyl-4-nitro-N-(3-nitro-5-phenoxyphenyl)pyrazole-3-carboxamide
The XLogP value of 3.2811 indicates that 1-methyl-4-nitro-N-(3-nitro-5-phenoxyphenyl)pyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.43 Ų indicates high polarity, suggesting 1-methyl-4-nitro-N-(3-nitro-5-phenoxyphenyl)pyrazole-3-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-methyl-4-nitro-N-(3-nitro-5-phenoxyphenyl)pyrazole-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-methyl-4-nitro-N-(3-nitro-5-phenoxyphenyl)pyrazole-3-carboxamide?
The CAS number of 1-methyl-4-nitro-N-(3-nitro-5-phenoxyphenyl)pyrazole-3-carboxamide is 482574-82-3.
What is the molecular formula of 1-methyl-4-nitro-N-(3-nitro-5-phenoxyphenyl)pyrazole-3-carboxamide?
The molecular formula of 1-methyl-4-nitro-N-(3-nitro-5-phenoxyphenyl)pyrazole-3-carboxamide is C17H13N5O6.
What is the molecular weight of 1-methyl-4-nitro-N-(3-nitro-5-phenoxyphenyl)pyrazole-3-carboxamide?
The molecular weight of 1-methyl-4-nitro-N-(3-nitro-5-phenoxyphenyl)pyrazole-3-carboxamide is 383.09 g/mol.
Where can I buy 1-methyl-4-nitro-N-(3-nitro-5-phenoxyphenyl)pyrazole-3-carboxamide?
You can request a quote for 1-methyl-4-nitro-N-(3-nitro-5-phenoxyphenyl)pyrazole-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-methyl-4-nitro-N-(3-nitro-5-phenoxyphenyl)pyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-4-nitro-N-(3-nitro-5-phenoxyphenyl)pyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.