4-Isoxazol-5-yl-1-methyl-1H-pyrazole-3-carboxylic acid
TL;DR: 4-Isoxazol-5-yl-1-methyl-1H-pyrazole-3-carboxylic acid (CAS 956985-41-4) is a chemical compound with molecular formula C8H7N3O3 and molecular weight 193.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(1,2-oxazol-5-yl)pyrazole-3-carboxylic acid
Also Known As: 4-Isoxazol-5-yl-1-methyl-1H-pyrazole-3-carboxylic acid, ZERO/005690, 1-methyl-4-(1,2-oxazol-5-yl)-1H-pyrazole-3-carboxylic acid, 4-(Isoxazol-5-yl)-1-methyl-1H-pyrazole-3-carboxylic acid, 4-(5-isoxazolyl)-1-methyl-1h-pyrazole-3-carboxylic acid
| Molecular Formula | C8H7N3O3 |
|---|---|
| Molecular Weight | 193.05 g/mol |
| LogP | 0.7733 |
| Topological Polar Surface Area | 81.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.04874 |
| Heavy Atoms | 14 |
| Complexity | 458.1398 |
Chemical Identifiers
| CAS Number | 956985-41-4 |
|---|---|
| SMILES | CN1C=C(C(=N1)C(=O)O)C2=CC=NO2 |
Product Overview
4-Isoxazol-5-yl-1-methyl-1H-pyrazole-3-carboxylic acid (CAS 956985-41-4), with molecular formula C8H7N3O3 and molecular weight 193.05 g/mol. IUPAC: 1-methyl-4-(1,2-oxazol-5-yl)pyrazole-3-carboxylic acid.
Chemical Property Profile of 4-Isoxazol-5-yl-1-methyl-1H-pyrazole-3-carboxylic acid
Property Insights of 4-Isoxazol-5-yl-1-methyl-1H-pyrazole-3-carboxylic acid
The XLogP value of 0.7733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isoxazol-5-yl-1-methyl-1H-pyrazole-3-carboxylic acid. The TPSA of 81.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isoxazol-5-yl-1-methyl-1H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 4-Isoxazol-5-yl-1-methyl-1H-pyrazole-3-carboxylic 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 4-Isoxazol-5-yl-1-methyl-1H-pyrazole-3-carboxylic acid?
The CAS number of 4-Isoxazol-5-yl-1-methyl-1H-pyrazole-3-carboxylic acid is 956985-41-4.
What is the molecular formula of 4-Isoxazol-5-yl-1-methyl-1H-pyrazole-3-carboxylic acid?
The molecular formula of 4-Isoxazol-5-yl-1-methyl-1H-pyrazole-3-carboxylic acid is C8H7N3O3.
What is the molecular weight of 4-Isoxazol-5-yl-1-methyl-1H-pyrazole-3-carboxylic acid?
The molecular weight of 4-Isoxazol-5-yl-1-methyl-1H-pyrazole-3-carboxylic acid is 193.05 g/mol.
Where can I buy 4-Isoxazol-5-yl-1-methyl-1H-pyrazole-3-carboxylic acid?
You can request a quote for 4-Isoxazol-5-yl-1-methyl-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 4-Isoxazol-5-yl-1-methyl-1H-pyrazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Isoxazol-5-yl-1-methyl-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.