1-Methyl-5-(thien-2-yl)-1H-pyrazole-3-carboxylic acid
TL;DR: 1-Methyl-5-(thien-2-yl)-1H-pyrazole-3-carboxylic acid (CAS 869901-15-5) is a chemical compound with molecular formula C9H8N2O2S and molecular weight 208.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-thiophen-2-ylpyrazole-3-carboxylic acid
Also Known As: 1-Methyl-5-thien-2-yl-1H-pyrazole-3-carboxylic acid, 1-Methyl-5-(thiophen-2-yl)-1H-pyrazole-3-carboxylic acid, 1-methyl-5-thiophen-2-ylpyrazole-3-carboxylic acid, 1-methyl-5-(2-thienyl)-1H-pyrazole-3-carboxylic acid, 1H-Pyrazole-3-carboxylicacid, 1-methyl-5-(2-thienyl)-
| Molecular Formula | C9H8N2O2S |
|---|---|
| Molecular Weight | 208.03 g/mol |
| LogP | 1.8468 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.03065 |
| Heavy Atoms | 14 |
| Complexity | 459.12027 |
Chemical Identifiers
| CAS Number | 869901-15-5 |
|---|---|
| SMILES | CN1C(=CC(=N1)C(=O)O)C2=CC=CS2 |
Product Overview
1-Methyl-5-(thien-2-yl)-1H-pyrazole-3-carboxylic acid (CAS 869901-15-5), with molecular formula C9H8N2O2S and molecular weight 208.03 g/mol. IUPAC: 1-methyl-5-thiophen-2-ylpyrazole-3-carboxylic acid.
Chemical Property Profile of 1-Methyl-5-(thien-2-yl)-1H-pyrazole-3-carboxylic acid
Property Insights of 1-Methyl-5-(thien-2-yl)-1H-pyrazole-3-carboxylic acid
The XLogP value of 1.8468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-5-(thien-2-yl)-1H-pyrazole-3-carboxylic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 1-Methyl-5-(thien-2-yl)-1H-pyrazole-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-5-(thien-2-yl)-1H-pyrazole-3-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-Methyl-5-(thien-2-yl)-1H-pyrazole-3-carboxylic acid?
The CAS number of 1-Methyl-5-(thien-2-yl)-1H-pyrazole-3-carboxylic acid is 869901-15-5.
What is the molecular formula of 1-Methyl-5-(thien-2-yl)-1H-pyrazole-3-carboxylic acid?
The molecular formula of 1-Methyl-5-(thien-2-yl)-1H-pyrazole-3-carboxylic acid is C9H8N2O2S.
What is the molecular weight of 1-Methyl-5-(thien-2-yl)-1H-pyrazole-3-carboxylic acid?
The molecular weight of 1-Methyl-5-(thien-2-yl)-1H-pyrazole-3-carboxylic acid is 208.03 g/mol.
Where can I buy 1-Methyl-5-(thien-2-yl)-1H-pyrazole-3-carboxylic acid?
You can request a quote for 1-Methyl-5-(thien-2-yl)-1H-pyrazole-3-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-Methyl-5-(thien-2-yl)-1H-pyrazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-5-(thien-2-yl)-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.