![5-(2-hydroxy-5-methylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide structure](/static/products/879/879437-84-0.png)
5-(2-hydroxy-5-methylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide
TL;DR: 5-(2-hydroxy-5-methylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide (CAS 879437-84-0) is a chemical compound with molecular formula C21H22N4O3S and molecular weight 410.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxy-5-methylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-5-carboxamide
Also Known As: 5-(2-hydroxy-5-methylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide, (5Z)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide, 3-(2-hydroxy-5-methylphenyl)-N-(3-(methylcarbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1H-pyrazole-5-carboxamide, N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide
| Molecular Formula | C21H22N4O3S |
|---|---|
| Molecular Weight | 410.14 g/mol |
| LogP | 3.64292 |
| Topological Polar Surface Area | 107.11 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.14127 |
| Heavy Atoms | 29 |
| Complexity | 1099.539 |
Chemical Identifiers
| CAS Number | 879437-84-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)O)C2=NNC(=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NC |
Product Overview
5-(2-hydroxy-5-methylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide (CAS 879437-84-0), with molecular formula C21H22N4O3S and molecular weight 410.14 g/mol. IUPAC: 3-(2-hydroxy-5-methylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-5-carboxamide.
Chemical Property Profile of 5-(2-hydroxy-5-methylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide
Property Insights of 5-(2-hydroxy-5-methylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide
The XLogP value of 3.64292 indicates that 5-(2-hydroxy-5-methylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-hydroxy-5-methylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide. Following Lipinski's Rule of Five, 5-(2-hydroxy-5-methylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide has 4 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 5-(2-hydroxy-5-methylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide?
The CAS number of 5-(2-hydroxy-5-methylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide is 879437-84-0.
What is the molecular formula of 5-(2-hydroxy-5-methylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide?
The molecular formula of 5-(2-hydroxy-5-methylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide is C21H22N4O3S.
What is the molecular weight of 5-(2-hydroxy-5-methylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide?
The molecular weight of 5-(2-hydroxy-5-methylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide is 410.14 g/mol.
Where can I buy 5-(2-hydroxy-5-methylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide?
You can request a quote for 5-(2-hydroxy-5-methylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-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 5-(2-hydroxy-5-methylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-hydroxy-5-methylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.