N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-ethyl-pyrazole-4-carboxamide
TL;DR: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-ethyl-pyrazole-4-carboxamide (CAS 7166-81-6) is a chemical compound with molecular formula C15H16N4OS and molecular weight 300.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-ethylpyrazole-4-carboxamide
Also Known As: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-ethyl-pyrazole-4-carboxamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-ethylpyrazole-4-carboxamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-ethyl-1H-pyrazole-4-carboxamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-ethyl-1H-pyrazole-4-carboxamide, N~4~-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-1-ETHYL-1H-PYRAZOLE-4-CARBOXAMIDE
| Molecular Formula | C15H16N4OS |
|---|---|
| Molecular Weight | 300.10 g/mol |
| LogP | 2.96728 |
| Topological Polar Surface Area | 70.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.1045 |
| Heavy Atoms | 21 |
| Complexity | 722.59955 |
Chemical Identifiers
| CAS Number | 7166-81-6 |
|---|---|
| SMILES | CCN1C=C(C=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N |
Product Overview
N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-ethyl-pyrazole-4-carboxamide (CAS 7166-81-6), with molecular formula C15H16N4OS and molecular weight 300.10 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-ethylpyrazole-4-carboxamide.
Chemical Property Profile of N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-ethyl-pyrazole-4-carboxamide
Property Insights of N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-ethyl-pyrazole-4-carboxamide
The XLogP value of 2.96728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-ethyl-pyrazole-4-carboxamide. The TPSA of 70.71 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-ethyl-pyrazole-4-carboxamide. Following Lipinski's Rule of Five, N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-ethyl-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 N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-ethyl-pyrazole-4-carboxamide?
The CAS number of N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-ethyl-pyrazole-4-carboxamide is 7166-81-6.
What is the molecular formula of N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-ethyl-pyrazole-4-carboxamide?
The molecular formula of N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-ethyl-pyrazole-4-carboxamide is C15H16N4OS.
What is the molecular weight of N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-ethyl-pyrazole-4-carboxamide?
The molecular weight of N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-ethyl-pyrazole-4-carboxamide is 300.10 g/mol.
Where can I buy N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-ethyl-pyrazole-4-carboxamide?
You can request a quote for N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-ethyl-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 N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-ethyl-pyrazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-ethyl-pyrazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.