1-(1,1-Dioxothiolan-3-yl)pyrazole-4-carboxamide
TL;DR: 1-(1,1-Dioxothiolan-3-yl)pyrazole-4-carboxamide (CAS 251096-51-2) is a chemical compound with molecular formula C8H11N3O3S and molecular weight 229.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide
Also Known As: Bionet2_000330, 1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1H-pyrazole-4-carboxamide, 1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide, 1-(1,1-dioxo-1lambda6-thiolan-3-yl)-1H-pyrazole-4-carboxamide, 1-(1,1-dioxo-1
| Molecular Formula | C8H11N3O3S |
|---|---|
| Molecular Weight | 229.05 g/mol |
| LogP | -0.6584 |
| Topological Polar Surface Area | 95.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.05211 |
| Heavy Atoms | 15 |
| Complexity | 490.9851 |
Chemical Identifiers
| CAS Number | 251096-51-2 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N2C=C(C=N2)C(=O)N |
Product Overview
1-(1,1-Dioxothiolan-3-yl)pyrazole-4-carboxamide (CAS 251096-51-2), with molecular formula C8H11N3O3S and molecular weight 229.05 g/mol. IUPAC: 1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide.
Chemical Property Profile of 1-(1,1-Dioxothiolan-3-yl)pyrazole-4-carboxamide
Property Insights of 1-(1,1-Dioxothiolan-3-yl)pyrazole-4-carboxamide
The XLogP value of -0.6584 indicates that 1-(1,1-Dioxothiolan-3-yl)pyrazole-4-carboxamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,1-Dioxothiolan-3-yl)pyrazole-4-carboxamide. Following Lipinski's Rule of Five, 1-(1,1-Dioxothiolan-3-yl)pyrazole-4-carboxamide 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 1-(1,1-Dioxothiolan-3-yl)pyrazole-4-carboxamide?
The CAS number of 1-(1,1-Dioxothiolan-3-yl)pyrazole-4-carboxamide is 251096-51-2.
What is the molecular formula of 1-(1,1-Dioxothiolan-3-yl)pyrazole-4-carboxamide?
The molecular formula of 1-(1,1-Dioxothiolan-3-yl)pyrazole-4-carboxamide is C8H11N3O3S.
What is the molecular weight of 1-(1,1-Dioxothiolan-3-yl)pyrazole-4-carboxamide?
The molecular weight of 1-(1,1-Dioxothiolan-3-yl)pyrazole-4-carboxamide is 229.05 g/mol.
Where can I buy 1-(1,1-Dioxothiolan-3-yl)pyrazole-4-carboxamide?
You can request a quote for 1-(1,1-Dioxothiolan-3-yl)pyrazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,1-Dioxothiolan-3-yl)pyrazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,1-Dioxothiolan-3-yl)pyrazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.