1-Benzyl-3-nitro-1H-pyrazole-5-carboxylic acid
TL;DR: 1-Benzyl-3-nitro-1H-pyrazole-5-carboxylic acid (CAS 360573-27-9) 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.
1-benzyl-3-nitropyrazole-5-carboxylic acid
Also Known As: 1-Benzyl-3-nitro-1H-pyrazole-5-carboxylic acid, 2-benzyl-5-nitropyrazole-3-carboxylic acid, 3-nitro-1-benzylpyrazole-5-carboxylic acid, 2-benzyl-5-nitro-pyrazole-3-carboxylic acid, 1-Benzyl-3-nitro-1H-pyrazole-5-carboxylicacid
| Molecular Formula | C11H9N3O4 |
|---|---|
| Molecular Weight | 247.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.05931 |
| Heavy Atoms | 18 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 360573-27-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=CC(=N2)[N+](=O)[O-])C(=O)O |
| InChIKey | GOCFKHJXPFKGHX-UHFFFAOYSA-N |
Product Overview
1-Benzyl-3-nitro-1H-pyrazole-5-carboxylic acid (CAS 360573-27-9), with molecular formula C11H9N3O4 and molecular weight 247.06 g/mol. IUPAC: 1-benzyl-3-nitropyrazole-5-carboxylic acid.
Chemical Property Profile of 1-Benzyl-3-nitro-1H-pyrazole-5-carboxylic acid
Property Insights of 1-Benzyl-3-nitro-1H-pyrazole-5-carboxylic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-3-nitro-1H-pyrazole-5-carboxylic acid. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-3-nitro-1H-pyrazole-5-carboxylic acid. Following Lipinski's Rule of Five, 1-Benzyl-3-nitro-1H-pyrazole-5-carboxylic acid has 1 hydrogen bond donor(s) and 5 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-Benzyl-3-nitro-1H-pyrazole-5-carboxylic acid?
The CAS number of 1-Benzyl-3-nitro-1H-pyrazole-5-carboxylic acid is 360573-27-9.
What is the molecular formula of 1-Benzyl-3-nitro-1H-pyrazole-5-carboxylic acid?
The molecular formula of 1-Benzyl-3-nitro-1H-pyrazole-5-carboxylic acid is C11H9N3O4.
What is the molecular weight of 1-Benzyl-3-nitro-1H-pyrazole-5-carboxylic acid?
The molecular weight of 1-Benzyl-3-nitro-1H-pyrazole-5-carboxylic acid is 247.06 g/mol.
Where can I buy 1-Benzyl-3-nitro-1H-pyrazole-5-carboxylic acid?
You can request a quote for 1-Benzyl-3-nitro-1H-pyrazole-5-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-Benzyl-3-nitro-1H-pyrazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-nitro-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.