1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid
TL;DR: 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid (CAS 956411-88-4) is a chemical compound with molecular formula C15H12N2O2S and molecular weight 284.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-thiophen-2-ylpyrazole-4-carboxylic acid
Also Known As: 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid, 1-benzyl-3-thien-2-yl-1H-pyrazole-4-carboxylic acid, 1-benzyl-3-thiophen-2-ylpyrazole-4-carboxylic acid, AB00734119-01, 1-benzyl-3-(thiophen-2-yl)pyrazole-4-carboxylic acid
| Molecular Formula | C15H12N2O2S |
|---|---|
| Molecular Weight | 284.06 g/mol |
| LogP | 3.3581 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.06195 |
| Heavy Atoms | 20 |
| Complexity | 717.6837 |
Chemical Identifiers
| CAS Number | 956411-88-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)C(=O)O |
Product Overview
1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid (CAS 956411-88-4), with molecular formula C15H12N2O2S and molecular weight 284.06 g/mol. IUPAC: 1-benzyl-3-thiophen-2-ylpyrazole-4-carboxylic acid.
Chemical Property Profile of 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid
Property Insights of 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid
The XLogP value of 3.3581 indicates that 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.12 Ų, 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid 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-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid?
The CAS number of 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid is 956411-88-4.
What is the molecular formula of 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid?
The molecular formula of 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid is C15H12N2O2S.
What is the molecular weight of 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid?
The molecular weight of 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid is 284.06 g/mol.
Where can I buy 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid?
You can request a quote for 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.