3-Nitro-1-vinylpyrazolecarboxylic acid
TL;DR: 3-Nitro-1-vinylpyrazolecarboxylic acid (CAS 77492-93-4) is a chemical compound with molecular formula C6H5N3O4 and molecular weight 183.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethenyl-3-nitropyrazole-1-carboxylic acid
Also Known As: 3-Nitro-1-vinylpyrazolecarboxylic acid, Pyrazolecarboxylic acid, 3-nitro-1-vinyl-, 3-Nitro-4-vinyl-1H-pyrazole-1-carboxylic acid, 4-ethenyl-3-nitropyrazole-1-carboxylic acid, 1H-Pyrazole-1-carboxylic acid, 4-ethenyl-3-nitro-
| Molecular Formula | C6H5N3O4 |
|---|---|
| Molecular Weight | 183.03 g/mol |
| LogP | 0.9604 |
| Topological Polar Surface Area | 98.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.028 |
| Heavy Atoms | 13 |
| Complexity | 381.23114 |
Chemical Identifiers
| CAS Number | 77492-93-4 |
|---|---|
| SMILES | C=CC1=CN(N=C1[N+](=O)[O-])C(=O)O |
Product Overview
3-Nitro-1-vinylpyrazolecarboxylic acid (CAS 77492-93-4), with molecular formula C6H5N3O4 and molecular weight 183.03 g/mol. IUPAC: 4-ethenyl-3-nitropyrazole-1-carboxylic acid.
Chemical Property Profile of 3-Nitro-1-vinylpyrazolecarboxylic acid
Property Insights of 3-Nitro-1-vinylpyrazolecarboxylic acid
The XLogP value of 0.9604 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-1-vinylpyrazolecarboxylic acid. The TPSA of 98.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-1-vinylpyrazolecarboxylic acid. Following Lipinski's Rule of Five, 3-Nitro-1-vinylpyrazolecarboxylic 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-Nitro-1-vinylpyrazolecarboxylic acid?
The CAS number of 3-Nitro-1-vinylpyrazolecarboxylic acid is 77492-93-4.
What is the molecular formula of 3-Nitro-1-vinylpyrazolecarboxylic acid?
The molecular formula of 3-Nitro-1-vinylpyrazolecarboxylic acid is C6H5N3O4.
What is the molecular weight of 3-Nitro-1-vinylpyrazolecarboxylic acid?
The molecular weight of 3-Nitro-1-vinylpyrazolecarboxylic acid is 183.03 g/mol.
Where can I buy 3-Nitro-1-vinylpyrazolecarboxylic acid?
You can request a quote for 3-Nitro-1-vinylpyrazolecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-1-vinylpyrazolecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-1-vinylpyrazolecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.