4-Nitro-5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid
TL;DR: 4-Nitro-5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid (CAS 109892-71-9) is a chemical compound with molecular formula C10H6N4O6 and molecular weight 278.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-3-(4-nitrophenyl)-1H-pyrazole-5-carboxylic acid
Also Known As: 4-Nitro-5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid, 4-nitro-3-(4-nitrophenyl)-1H-pyrazole-5-carboxylic acid, 4-Nitro-5-(4-nitrophenyl)-1H-pyrazole-3-carboxylicacid
| Molecular Formula | C10H6N4O6 |
|---|---|
| Molecular Weight | 278.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.02875 |
| Heavy Atoms | 20 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 109892-71-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NNC(=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-] |
| InChIKey | COBIGJHIGVVLJT-UHFFFAOYSA-N |
Product Overview
4-Nitro-5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid (CAS 109892-71-9), with molecular formula C10H6N4O6 and molecular weight 278.03 g/mol. IUPAC: 4-nitro-3-(4-nitrophenyl)-1H-pyrazole-5-carboxylic acid.
Chemical Property Profile of 4-Nitro-5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid
Property Insights of 4-Nitro-5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid. The TPSA of 158.0 Ų indicates high polarity, suggesting 4-Nitro-5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Nitro-5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid has 2 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 4-Nitro-5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid?
The CAS number of 4-Nitro-5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid is 109892-71-9.
What is the molecular formula of 4-Nitro-5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid?
The molecular formula of 4-Nitro-5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid is C10H6N4O6.
What is the molecular weight of 4-Nitro-5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid?
The molecular weight of 4-Nitro-5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid is 278.03 g/mol.
Where can I buy 4-Nitro-5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid?
You can request a quote for 4-Nitro-5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.