![3-[(isopropylamino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylic acid structure](/static/products/5148/514818-13-4.webp)
3-[(isopropylamino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylic acid
TL;DR: 3-[(isopropylamino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylic acid (CAS 514818-13-4) is a chemical compound with molecular formula C9H13N3O3 and molecular weight 211.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-(propan-2-ylcarbamoyl)pyrazole-5-carboxylic acid
Also Known As: 3-[(isopropylamino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylic acid, 3-(Isopropylcarbamoyl)-1-methyl-1H-pyrazole-5-carboxylic acid, 2-methyl-5-(propan-2-ylcarbamoyl)pyrazole-3-carboxylic Acid, 1-methyl-3-[(propan-2-yl)carbamoyl]-1H-pyrazole-5-carboxylic acid, 1-methyl-3-(propan-2-ylcarbamoyl)-1H-pyrazole-5-carboxylic acid
| Molecular Formula | C9H13N3O3 |
|---|---|
| Molecular Weight | 211.10 g/mol |
| LogP | 0.2565 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.09569 |
| Heavy Atoms | 15 |
| Complexity | 395.3069 |
Chemical Identifiers
| CAS Number | 514818-13-4 |
|---|---|
| SMILES | CC(C)NC(=O)C1=NN(C(=C1)C(=O)O)C |
Product Overview
3-[(isopropylamino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylic acid (CAS 514818-13-4), with molecular formula C9H13N3O3 and molecular weight 211.10 g/mol. IUPAC: 1-methyl-3-(propan-2-ylcarbamoyl)pyrazole-5-carboxylic acid.
Chemical Property Profile of 3-[(isopropylamino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylic acid
Property Insights of 3-[(isopropylamino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylic acid
The XLogP value of 0.2565 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(isopropylamino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylic acid. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(isopropylamino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylic acid. Following Lipinski's Rule of Five, 3-[(isopropylamino)carbonyl]-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-[(isopropylamino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylic acid?
The CAS number of 3-[(isopropylamino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylic acid is 514818-13-4.
What is the molecular formula of 3-[(isopropylamino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylic acid?
The molecular formula of 3-[(isopropylamino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylic acid is C9H13N3O3.
What is the molecular weight of 3-[(isopropylamino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylic acid?
The molecular weight of 3-[(isopropylamino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylic acid is 211.10 g/mol.
Where can I buy 3-[(isopropylamino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylic acid?
You can request a quote for 3-[(isopropylamino)carbonyl]-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-[(isopropylamino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(isopropylamino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.