N-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
TL;DR: N-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-3-carboxamide (CAS 1273553-45-9) is a chemical compound with molecular formula C16H19N3O4S and molecular weight 349.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
Also Known As: N-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-3-carboxamide, N-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide, (5E)-N-(1,1-dioxothiolan-3-yl)-5-(3-ethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide, (5Z)-N-(1,1-dioxothiolan-3-yl)-5-(3-ethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide, 5-(5-Ethyl-2-hydroxy-phenyl)-2H-pyrazole-3-carboxylic acid (1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-amide
| Molecular Formula | C16H19N3O4S |
|---|---|
| Molecular Weight | 349.11 g/mol |
| LogP | 1.2616 |
| Topological Polar Surface Area | 112.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.10962 |
| Heavy Atoms | 24 |
| Complexity | 873.19775 |
Chemical Identifiers
| CAS Number | 1273553-45-9 |
|---|---|
| SMILES | CCC1=CC(=C(C=C1)O)C2=NNC(=C2)C(=O)NC3CCS(=O)(=O)C3 |
Product Overview
N-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-3-carboxamide (CAS 1273553-45-9), with molecular formula C16H19N3O4S and molecular weight 349.11 g/mol. IUPAC: N-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide.
Chemical Property Profile of N-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
Property Insights of N-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
The XLogP value of 1.2616 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-3-carboxamide. The TPSA of 112.15 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-3-carboxamide. Following Lipinski's Rule of Five, N-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-3-carboxamide has 3 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 N-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-3-carboxamide?
The CAS number of N-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-3-carboxamide is 1273553-45-9.
What is the molecular formula of N-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-3-carboxamide?
The molecular formula of N-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-3-carboxamide is C16H19N3O4S.
What is the molecular weight of N-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-3-carboxamide?
The molecular weight of N-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-3-carboxamide is 349.11 g/mol.
Where can I buy N-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-3-carboxamide?
You can request a quote for N-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.