3-(diethylcarbamoyl)-1-methyl-1H-pyrazole-5-carboxylic acid
TL;DR: 3-(diethylcarbamoyl)-1-methyl-1H-pyrazole-5-carboxylic acid (CAS 1004727-28-9) is a chemical compound with molecular formula C10H15N3O3 and molecular weight 225.11134 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(diethylcarbamoyl)-1-methylpyrazole-5-carboxylic acid
Also Known As: 3-(diethylcarbamoyl)-1-methyl-1H-pyrazole-5-carboxylic acid, 3-[(diethylamino)carbonyl]-1-methyl-1H-Pyrazole-5-carboxylic acid, 5-(diethylcarbamoyl)-2-methylpyrazole-3-carboxylic acid, 5-Diethylcarbamoyl-2-methyl-2H-pyrazole-3-carboxylic acid, 5-(diethylcarbamoyl)-2-methyl-pyrazole-3-carboxylic Acid
Technical Specifications
| Molecular Formula | C10H15N3O3 |
| Molecular Weight | 225.11134 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 75.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.11134 Da |
| Heavy Atoms | 16 |
| Complexity | 278.0 |
| SMILES | CCN(CC)C(=O)C1=NN(C(=C1)C(=O)O)C |
| InChIKey | PZTDZSXJNQXZQC-UHFFFAOYSA-N |
Chemical Property Profile of 3-(diethylcarbamoyl)-1-methyl-1H-pyrazole-5-carboxylic acid
Property Insights of 3-(diethylcarbamoyl)-1-methyl-1H-pyrazole-5-carboxylic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(diethylcarbamoyl)-1-methyl-1H-pyrazole-5-carboxylic acid. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(diethylcarbamoyl)-1-methyl-1H-pyrazole-5-carboxylic acid. Following Lipinski's Rule of Five, 3-(diethylcarbamoyl)-1-methyl-1H-pyrazole-5-carboxylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(diethylcarbamoyl)-1-methyl-1H-pyrazole-5-carboxylic acid?
The CAS number of 3-(diethylcarbamoyl)-1-methyl-1H-pyrazole-5-carboxylic acid is 1004727-28-9.
What is the molecular formula of 3-(diethylcarbamoyl)-1-methyl-1H-pyrazole-5-carboxylic acid?
The molecular formula of 3-(diethylcarbamoyl)-1-methyl-1H-pyrazole-5-carboxylic acid is C10H15N3O3.
What is the molecular weight of 3-(diethylcarbamoyl)-1-methyl-1H-pyrazole-5-carboxylic acid?
The molecular weight of 3-(diethylcarbamoyl)-1-methyl-1H-pyrazole-5-carboxylic acid is 225.11134 g/mol.
Where can I buy 3-(diethylcarbamoyl)-1-methyl-1H-pyrazole-5-carboxylic acid?
You can request a quote for 3-(diethylcarbamoyl)-1-methyl-1H-pyrazole-5-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(diethylcarbamoyl)-1-methyl-1H-pyrazole-5-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3-(diethylcarbamoyl)-1-methyl-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.