4,5-Dihydro-1-(4-nitrophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid
TL;DR: 4,5-Dihydro-1-(4-nitrophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid (CAS 62084-02-0) is a chemical compound with molecular formula C10H7N3O5 and molecular weight 249.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid
Also Known As: 1-(4-nitrophenyl)-5-oxo-4,5-dihydro-1h-pyrazole-3-carboxylic acid, 4,5-Dihydro-1-(4-nitrophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid, 1-(4-nitrophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid, 1-(4-NITROPHENYL)-3-CARBOXY-5-PYRAZOLONE, 4,5-dihydro-1- -5-oxo-1H-pyrazole-3-carboxylicacid
| Molecular Formula | C10H7N3O5 |
|---|---|
| Molecular Weight | 249.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.03857 |
| Heavy Atoms | 18 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 62084-02-0 |
|---|---|
| SMILES | C1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O |
| InChIKey | VIISNFKYOKHEAI-UHFFFAOYSA-N |
Product Overview
4,5-Dihydro-1-(4-nitrophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid (CAS 62084-02-0), with molecular formula C10H7N3O5 and molecular weight 249.04 g/mol. IUPAC: 1-(4-nitrophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid.
Chemical Property Profile of 4,5-Dihydro-1-(4-nitrophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid
Property Insights of 4,5-Dihydro-1-(4-nitrophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dihydro-1-(4-nitrophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dihydro-1-(4-nitrophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 4,5-Dihydro-1-(4-nitrophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid has 1 hydrogen bond donor(s) and 6 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 4,5-Dihydro-1-(4-nitrophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid?
The CAS number of 4,5-Dihydro-1-(4-nitrophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid is 62084-02-0.
What is the molecular formula of 4,5-Dihydro-1-(4-nitrophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid?
The molecular formula of 4,5-Dihydro-1-(4-nitrophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid is C10H7N3O5.
What is the molecular weight of 4,5-Dihydro-1-(4-nitrophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid?
The molecular weight of 4,5-Dihydro-1-(4-nitrophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid is 249.04 g/mol.
Where can I buy 4,5-Dihydro-1-(4-nitrophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid?
You can request a quote for 4,5-Dihydro-1-(4-nitrophenyl)-5-oxo-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 4,5-Dihydro-1-(4-nitrophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dihydro-1-(4-nitrophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.