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1-ethyl-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide
TL;DR: 1-ethyl-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide (CAS 515149-48-1) is a chemical compound with molecular formula C13H15N3OS and molecular weight 261.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide
Also Known As: 1-ethyl-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide, 1-ethyl-N-(2-(methylthio)phenyl)-1H-pyrazole-3-carboxamide, 1-ethyl-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide, N-o-(methylthio)phenyl-1-ethyl-3-pyrazolecarboxamide, (1-ethylpyrazol-3-yl)-N-(2-methylthiophenyl)carboxamide
| Molecular Formula | C13H15N3OS |
|---|---|
| Molecular Weight | 261.09 g/mol |
| LogP | 2.8772 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.0936 |
| Heavy Atoms | 18 |
| Complexity | 550.6743 |
Chemical Identifiers
| CAS Number | 515149-48-1 |
|---|---|
| SMILES | CCN1C=CC(=N1)C(=O)NC2=CC=CC=C2SC |
Product Overview
1-ethyl-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide (CAS 515149-48-1), with molecular formula C13H15N3OS and molecular weight 261.09 g/mol. IUPAC: 1-ethyl-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide.
Chemical Property Profile of 1-ethyl-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide
Property Insights of 1-ethyl-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide
The XLogP value of 2.8772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-ethyl-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide. With a topological polar surface area (TPSA) of 46.92 Ų, 1-ethyl-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-ethyl-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide has 1 hydrogen bond donor(s) and 3 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-ethyl-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide?
The CAS number of 1-ethyl-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide is 515149-48-1.
What is the molecular formula of 1-ethyl-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide?
The molecular formula of 1-ethyl-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide is C13H15N3OS.
What is the molecular weight of 1-ethyl-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide?
The molecular weight of 1-ethyl-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide is 261.09 g/mol.
Where can I buy 1-ethyl-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide?
You can request a quote for 1-ethyl-N-[2-(methylsulfanyl)phenyl]-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 1-ethyl-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-ethyl-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.