1-Acetyl-4-(acetylamino)-1H-pyrazole-3-carboxylic acid
TL;DR: 1-Acetyl-4-(acetylamino)-1H-pyrazole-3-carboxylic acid (CAS 442870-49-7) is a chemical compound with molecular formula C8H9N3O4 and molecular weight 211.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetamido-1-acetylpyrazole-3-carboxylic acid
Also Known As: ZERO/001518, 1-Acetyl-4-(acetylamino)-1H-pyrazole-3-carboxylic acid, 4-acetamido-1-acetylpyrazole-3-carboxylic acid, 4-Acetamido-1-acetyl-1H-pyrazole-3-carboxylic acid, 1-acetyl-4-acetamido-1H-pyrazole-3-carboxylic acid
| Molecular Formula | C8H9N3O4 |
|---|---|
| Molecular Weight | 211.06 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.05931 |
| Heavy Atoms | 15 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 442870-49-7 |
|---|---|
| SMILES | CC(=O)NC1=CN(N=C1C(=O)O)C(=O)C |
| InChIKey | VWYUVVZERZWNLL-UHFFFAOYSA-N |
Product Overview
1-Acetyl-4-(acetylamino)-1H-pyrazole-3-carboxylic acid (CAS 442870-49-7), with molecular formula C8H9N3O4 and molecular weight 211.06 g/mol. IUPAC: 4-acetamido-1-acetylpyrazole-3-carboxylic acid.
Chemical Property Profile of 1-Acetyl-4-(acetylamino)-1H-pyrazole-3-carboxylic acid
Property Insights of 1-Acetyl-4-(acetylamino)-1H-pyrazole-3-carboxylic acid
The XLogP value of -0.3 indicates that 1-Acetyl-4-(acetylamino)-1H-pyrazole-3-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acetyl-4-(acetylamino)-1H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 1-Acetyl-4-(acetylamino)-1H-pyrazole-3-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
Frequently Asked Questions
What is the CAS number of 1-Acetyl-4-(acetylamino)-1H-pyrazole-3-carboxylic acid?
The CAS number of 1-Acetyl-4-(acetylamino)-1H-pyrazole-3-carboxylic acid is 442870-49-7.
What is the molecular formula of 1-Acetyl-4-(acetylamino)-1H-pyrazole-3-carboxylic acid?
The molecular formula of 1-Acetyl-4-(acetylamino)-1H-pyrazole-3-carboxylic acid is C8H9N3O4.
What is the molecular weight of 1-Acetyl-4-(acetylamino)-1H-pyrazole-3-carboxylic acid?
The molecular weight of 1-Acetyl-4-(acetylamino)-1H-pyrazole-3-carboxylic acid is 211.06 g/mol.
Where can I buy 1-Acetyl-4-(acetylamino)-1H-pyrazole-3-carboxylic acid?
You can request a quote for 1-Acetyl-4-(acetylamino)-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 1-Acetyl-4-(acetylamino)-1H-pyrazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-4-(acetylamino)-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.