5-methyl-1H-pyrazole-3-carboxylic acid
TL;DR: 5-methyl-1H-pyrazole-3-carboxylic acid (CAS 402-61-9) is a chemical compound with molecular formula C5H6N2O2 and molecular weight 126.04293 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-1H-pyrazole-3-carboxylic acid
Also Known As: 5-Methyl-1H-pyrazole-3-carboxylic acid, 3-methyl-1H-pyrazole-5-carboxylic acid, 3-Methylpyrazole-5-carboxylic acid, 5-METHYLPYRAZOLE-3-CARBOXYLIC ACID, LITHIUMTANTALATE
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H6N2O2 |
| Molecular Weight | 126.04293 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.04293 Da |
| Heavy Atoms | 9 |
| Complexity | 126.0 |
| SMILES | CC1=CC(=NN1)C(=O)O |
| InChIKey | WSMQKESQZFQMFW-UHFFFAOYSA-N |
Product Description
Applications: 5-methyl-1H-pyrazole-3-carboxylic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 5-methyl-1H-pyrazole-3-carboxylic acid (CAS 402-61-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
5-methyl-1H-pyrazole-3-carboxylic acid is a heterocyclic building block identified by CAS number 402-61-9 and the molecular formula C5H6N2O2 and a molecular weight of 126.04 g/mol. It is also known as 5-Methyl-1H-pyrazole-3-carboxylic acid and 3-methyl-1H-pyrazole-5-carboxylic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 5-methyl-1H-pyrazole-3-carboxylic acid
Property Insights of 5-methyl-1H-pyrazole-3-carboxylic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-1H-pyrazole-3-carboxylic acid. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-1H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-methyl-1H-pyrazole-3-carboxylic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-methyl-1H-pyrazole-3-carboxylic acid?
The CAS number of 5-methyl-1H-pyrazole-3-carboxylic acid is 402-61-9.
What is the molecular formula of 5-methyl-1H-pyrazole-3-carboxylic acid?
The molecular formula of 5-methyl-1H-pyrazole-3-carboxylic acid is C5H6N2O2.
What is the molecular weight of 5-methyl-1H-pyrazole-3-carboxylic acid?
The molecular weight of 5-methyl-1H-pyrazole-3-carboxylic acid is 126.04293 g/mol.
What are the applications of 5-methyl-1H-pyrazole-3-carboxylic acid?
5-methyl-1H-pyrazole-3-carboxylic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 5-methyl-1H-pyrazole-3-carboxylic acid?
You can request a quote for 5-methyl-1H-pyrazole-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-methyl-1H-pyrazole-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 5-methyl-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.