3-((1-methyl-1H-pyrazol-3-yl)carbamoyl)propanoic acid
TL;DR: 3-((1-methyl-1H-pyrazol-3-yl)carbamoyl)propanoic acid (CAS 62399-91-1) is a chemical compound with molecular formula C8H11N3O3 and molecular weight 197.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1-methylpyrazol-3-yl)amino]-4-oxobutanoic acid
Also Known As: Cyclohexyl-pyrid-4-ylmethylisocyanid, Butanoic acid, 4-[(1-methyl-1H-pyrazol-3-yl)amino]-4-oxo-, 4-[(1-methylpyrazol-3-yl)amino]-4-oxobutanoic acid, 3-[(1-METHYL-1H-PYRAZOL-3-YL)CARBAMOYL]PROPANOIC ACID, 3-[(1-methylpyrazol-3-yl)carbamoyl]propanoic Acid
| Molecular Formula | C8H11N3O3 |
|---|---|
| Molecular Weight | 197.08 g/mol |
| LogP | 0.2234 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 197.08005 |
| Heavy Atoms | 14 |
| Complexity | 345.35562 |
Chemical Identifiers
| CAS Number | 62399-91-1 |
|---|---|
| SMILES | CN1C=CC(=N1)NC(=O)CCC(=O)O |
Product Overview
3-((1-methyl-1H-pyrazol-3-yl)carbamoyl)propanoic acid (CAS 62399-91-1), with molecular formula C8H11N3O3 and molecular weight 197.08 g/mol. IUPAC: 4-[(1-methylpyrazol-3-yl)amino]-4-oxobutanoic acid.
Chemical Property Profile of 3-((1-methyl-1H-pyrazol-3-yl)carbamoyl)propanoic acid
Property Insights of 3-((1-methyl-1H-pyrazol-3-yl)carbamoyl)propanoic acid
The XLogP value of 0.2234 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((1-methyl-1H-pyrazol-3-yl)carbamoyl)propanoic acid. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((1-methyl-1H-pyrazol-3-yl)carbamoyl)propanoic acid. Following Lipinski's Rule of Five, 3-((1-methyl-1H-pyrazol-3-yl)carbamoyl)propanoic 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-((1-methyl-1H-pyrazol-3-yl)carbamoyl)propanoic acid?
The CAS number of 3-((1-methyl-1H-pyrazol-3-yl)carbamoyl)propanoic acid is 62399-91-1.
What is the molecular formula of 3-((1-methyl-1H-pyrazol-3-yl)carbamoyl)propanoic acid?
The molecular formula of 3-((1-methyl-1H-pyrazol-3-yl)carbamoyl)propanoic acid is C8H11N3O3.
What is the molecular weight of 3-((1-methyl-1H-pyrazol-3-yl)carbamoyl)propanoic acid?
The molecular weight of 3-((1-methyl-1H-pyrazol-3-yl)carbamoyl)propanoic acid is 197.08 g/mol.
Where can I buy 3-((1-methyl-1H-pyrazol-3-yl)carbamoyl)propanoic acid?
You can request a quote for 3-((1-methyl-1H-pyrazol-3-yl)carbamoyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((1-methyl-1H-pyrazol-3-yl)carbamoyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((1-methyl-1H-pyrazol-3-yl)carbamoyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.