4-cyano-1H-pyrazole-5-carboxylic acid
TL;DR: 4-cyano-1H-pyrazole-5-carboxylic acid (CAS 1045733-76-3) is a chemical compound with molecular formula C5H3N3O2 and molecular weight 137.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyano-1H-pyrazole-5-carboxylic acid
Also Known As: 4-cyano-1H-pyrazole-5-carboxylic acid, 4-cyano-1H-pyrazole-5-carboxylicacid, 4-cyano-2H-pyrazole-3-carboxylic Acid, 832-742-3, RefChem:522180
| Molecular Formula | C5H3N3O2 |
|---|---|
| Molecular Weight | 137.02 g/mol |
| LogP | -0.02042 |
| Topological Polar Surface Area | 89.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 137.02252 |
| Heavy Atoms | 10 |
| Complexity | 296.08685 |
Chemical Identifiers
| CAS Number | 1045733-76-3 |
|---|---|
| SMILES | C1=NNC(=C1C#N)C(=O)O |
Product Overview
4-cyano-1H-pyrazole-5-carboxylic acid (CAS 1045733-76-3), with molecular formula C5H3N3O2 and molecular weight 137.02 g/mol. IUPAC: 4-cyano-1H-pyrazole-5-carboxylic acid.
Chemical Property Profile of 4-cyano-1H-pyrazole-5-carboxylic acid
Property Insights of 4-cyano-1H-pyrazole-5-carboxylic acid
The XLogP value of -0.02042 indicates that 4-cyano-1H-pyrazole-5-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-cyano-1H-pyrazole-5-carboxylic acid. Following Lipinski's Rule of Five, 4-cyano-1H-pyrazole-5-carboxylic acid has 2 hydrogen bond donor(s) and 3 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-cyano-1H-pyrazole-5-carboxylic acid?
The CAS number of 4-cyano-1H-pyrazole-5-carboxylic acid is 1045733-76-3.
What is the molecular formula of 4-cyano-1H-pyrazole-5-carboxylic acid?
The molecular formula of 4-cyano-1H-pyrazole-5-carboxylic acid is C5H3N3O2.
What is the molecular weight of 4-cyano-1H-pyrazole-5-carboxylic acid?
The molecular weight of 4-cyano-1H-pyrazole-5-carboxylic acid is 137.02 g/mol.
Where can I buy 4-cyano-1H-pyrazole-5-carboxylic acid?
You can request a quote for 4-cyano-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 4-cyano-1H-pyrazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-cyano-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.