3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid
TL;DR: 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid (CAS 1093642-04-6) is a chemical compound with molecular formula C11H8N2O4 and molecular weight 232.0484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid
Also Known As: cyclobutanecarbohydrazide, 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid, 5-(1,3-benzodioxol-5-yl)-1H-pyrazole-3-carboxylic acid, 5-Benzo[1,3]dioxol-5-yl-2H-pyrazole-3-carboxylic acid, BAS 07750338
Technical Specifications
| Molecular Formula | C11H8N2O4 |
| Molecular Weight | 232.0484 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 84.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.0484 Da |
| Heavy Atoms | 17 |
| Complexity | 312.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)O |
| InChIKey | LMXODXZANYFXPY-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid
Property Insights of 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid. The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid. Following Lipinski's Rule of Five, 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-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
What is the CAS number of 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid?
The CAS number of 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid is 1093642-04-6.
What is the molecular formula of 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid?
The molecular formula of 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid is C11H8N2O4.
What is the molecular weight of 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid?
The molecular weight of 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid is 232.0484 g/mol.
Where can I buy 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid?
You can request a quote for 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.