3-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid
TL;DR: 3-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid (CAS 1049750-51-7) is a chemical compound with molecular formula C10H7N3O4 and molecular weight 233.04366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid
Also Known As: 3-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid, 5-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid, 3-(3-NITROPHENYL)-PYRASOLE-4-CARBOXYLIC ACID, 3831AE, 3- -PYRASOLE-4-CARBOXYLICACID
Technical Specifications
| Molecular Formula | C10H7N3O4 |
| Molecular Weight | 233.04366 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.04366 Da |
| Heavy Atoms | 17 |
| Complexity | 317.0 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C=NN2)C(=O)O |
| InChIKey | HIHZVKRTUUSORZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid
Property Insights of 3-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid. Following Lipinski's Rule of Five, 3-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid?
The CAS number of 3-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid is 1049750-51-7.
What is the molecular formula of 3-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid?
The molecular formula of 3-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid is C10H7N3O4.
What is the molecular weight of 3-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid?
The molecular weight of 3-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid is 233.04366 g/mol.
Where can I buy 3-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid?
You can request a quote for 3-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.