3-(3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
TL;DR: 3-(3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid (CAS 376358-93-9) is a chemical compound with molecular formula C16H11N3O4 and molecular weight 309.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-nitrophenyl)-1-phenylpyrazole-4-carboxylic acid
Also Known As: 3-(3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid, 3-(3-nitrophenyl)-1-phenylpyrazole-4-carboxylic acid, 3-(3-nitrophenyl)-1-phenyl-pyrazole-4-carboxylic Acid, 3-(3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxylicacid
| Molecular Formula | C16H11N3O4 |
|---|---|
| Molecular Weight | 309.07 g/mol |
| LogP | 3.1457 |
| Topological Polar Surface Area | 98.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.07495 |
| Heavy Atoms | 23 |
| Complexity | 887.3508 |
Chemical Identifiers
| CAS Number | 376358-93-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O |
Product Overview
3-(3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid (CAS 376358-93-9), with molecular formula C16H11N3O4 and molecular weight 309.07 g/mol. IUPAC: 3-(3-nitrophenyl)-1-phenylpyrazole-4-carboxylic acid.
Chemical Property Profile of 3-(3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
Property Insights of 3-(3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
The XLogP value of 3.1457 indicates that 3-(3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid. Following Lipinski's Rule of Five, 3-(3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid has 1 hydrogen bond donor(s) and 4 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 3-(3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid?
The CAS number of 3-(3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid is 376358-93-9.
What is the molecular formula of 3-(3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid?
The molecular formula of 3-(3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid is C16H11N3O4.
What is the molecular weight of 3-(3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid?
The molecular weight of 3-(3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid is 309.07 g/mol.
Where can I buy 3-(3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid?
You can request a quote for 3-(3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.