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 126.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C5H6N2O2 |
|---|---|
| Molecular Weight | 126.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.04293 |
| Heavy Atoms | 9 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 402-61-9 |
|---|---|
| SMILES | CC1=CC(=NN1)C(=O)O |
| InChIKey | WSMQKESQZFQMFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-methyl-1H-pyrazole-3-carboxylic acid (CAS 402-61-9), with molecular formula C5H6N2O2 and molecular weight 126.04 g/mol. IUPAC: 5-methyl-1H-pyrazole-3-carboxylic acid.
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
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 126.04 g/mol.
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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methyl-1H-pyrazole-3-carboxylic acid?
Yes, KEHONG BIO 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.