3-carbamoyl-1-methyl-1H-pyrazole-5-carboxylic acid
TL;DR: 3-carbamoyl-1-methyl-1H-pyrazole-5-carboxylic acid (CAS 512807-45-3) is a chemical compound with molecular formula C6H7N3O3 and molecular weight 169.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-carbamoyl-1-methylpyrazole-5-carboxylic acid
Also Known As: 3-carbamoyl-1-methyl-1H-pyrazole-5-carboxylic acid, 5-carbamoyl-2-methylpyrazole-3-carboxylic acid, 5-carbamoyl-2-methyl-pyrazole-3-carboxylic Acid, 3-(aminocarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid, 3-carbamoyl-1-methylpyrazole-5-carboxylic acid
| Molecular Formula | C6H7N3O3 |
|---|---|
| Molecular Weight | 169.05 g/mol |
| LogP | -0.7828 |
| Topological Polar Surface Area | 98.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.04874 |
| Heavy Atoms | 12 |
| Complexity | 341.80756 |
Chemical Identifiers
| CAS Number | 512807-45-3 |
|---|---|
| SMILES | CN1C(=CC(=N1)C(=O)N)C(=O)O |
Product Overview
3-carbamoyl-1-methyl-1H-pyrazole-5-carboxylic acid (CAS 512807-45-3), with molecular formula C6H7N3O3 and molecular weight 169.05 g/mol. IUPAC: 3-carbamoyl-1-methylpyrazole-5-carboxylic acid.
Chemical Property Profile of 3-carbamoyl-1-methyl-1H-pyrazole-5-carboxylic acid
Property Insights of 3-carbamoyl-1-methyl-1H-pyrazole-5-carboxylic acid
The XLogP value of -0.7828 indicates that 3-carbamoyl-1-methyl-1H-pyrazole-5-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-carbamoyl-1-methyl-1H-pyrazole-5-carboxylic acid. Following Lipinski's Rule of Five, 3-carbamoyl-1-methyl-1H-pyrazole-5-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 3-carbamoyl-1-methyl-1H-pyrazole-5-carboxylic acid?
The CAS number of 3-carbamoyl-1-methyl-1H-pyrazole-5-carboxylic acid is 512807-45-3.
What is the molecular formula of 3-carbamoyl-1-methyl-1H-pyrazole-5-carboxylic acid?
The molecular formula of 3-carbamoyl-1-methyl-1H-pyrazole-5-carboxylic acid is C6H7N3O3.
What is the molecular weight of 3-carbamoyl-1-methyl-1H-pyrazole-5-carboxylic acid?
The molecular weight of 3-carbamoyl-1-methyl-1H-pyrazole-5-carboxylic acid is 169.05 g/mol.
Where can I buy 3-carbamoyl-1-methyl-1H-pyrazole-5-carboxylic acid?
You can request a quote for 3-carbamoyl-1-methyl-1H-pyrazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-carbamoyl-1-methyl-1H-pyrazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-carbamoyl-1-methyl-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.