1-(4-Nitrophenyl)-5-methylpyrazole-4-carboxylic acid
TL;DR: 1-(4-Nitrophenyl)-5-methylpyrazole-4-carboxylic acid (CAS 288252-50-6) is a chemical compound with molecular formula C11H9N3O4 and molecular weight 247.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1-(4-nitrophenyl)pyrazole-4-carboxylic acid
Also Known As: 5-methyl-1-(4-nitrophenyl)pyrazole-4-carboxylic Acid, AE-848/32495031, 1-(4-Nitrophenyl)-5-methylpyrazole-4-carboxylic acid, 1-{4-nitrophenyl}-5-methyl-1H-pyrazole-4-carboxylic acid, 5-Methyl-1-(4-nitro-phenyl)-1H-pyrazole-4-carboxylic acid
| Molecular Formula | C11H9N3O4 |
|---|---|
| Molecular Weight | 247.06 g/mol |
| LogP | 1.78712 |
| Topological Polar Surface Area | 98.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.05931 |
| Heavy Atoms | 18 |
| Complexity | 615.7186 |
Chemical Identifiers
| CAS Number | 288252-50-6 |
|---|---|
| SMILES | CC1=C(C=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O |
Product Overview
1-(4-Nitrophenyl)-5-methylpyrazole-4-carboxylic acid (CAS 288252-50-6), with molecular formula C11H9N3O4 and molecular weight 247.06 g/mol. IUPAC: 5-methyl-1-(4-nitrophenyl)pyrazole-4-carboxylic acid.
Chemical Property Profile of 1-(4-Nitrophenyl)-5-methylpyrazole-4-carboxylic acid
Property Insights of 1-(4-Nitrophenyl)-5-methylpyrazole-4-carboxylic acid
The XLogP value of 1.78712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitrophenyl)-5-methylpyrazole-4-carboxylic acid. The TPSA of 98.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrophenyl)-5-methylpyrazole-4-carboxylic acid. Following Lipinski's Rule of Five, 1-(4-Nitrophenyl)-5-methylpyrazole-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 1-(4-Nitrophenyl)-5-methylpyrazole-4-carboxylic acid?
The CAS number of 1-(4-Nitrophenyl)-5-methylpyrazole-4-carboxylic acid is 288252-50-6.
What is the molecular formula of 1-(4-Nitrophenyl)-5-methylpyrazole-4-carboxylic acid?
The molecular formula of 1-(4-Nitrophenyl)-5-methylpyrazole-4-carboxylic acid is C11H9N3O4.
What is the molecular weight of 1-(4-Nitrophenyl)-5-methylpyrazole-4-carboxylic acid?
The molecular weight of 1-(4-Nitrophenyl)-5-methylpyrazole-4-carboxylic acid is 247.06 g/mol.
Where can I buy 1-(4-Nitrophenyl)-5-methylpyrazole-4-carboxylic acid?
You can request a quote for 1-(4-Nitrophenyl)-5-methylpyrazole-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 1-(4-Nitrophenyl)-5-methylpyrazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrophenyl)-5-methylpyrazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.