3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoic acid
TL;DR: 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoic acid (CAS 90476-87-2) is a chemical compound with molecular formula C7H10N2O3 and molecular weight 170.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanoic acid
Also Known As: 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoic acid, 3-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)-propionic acid, 3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanoic acid, BAS 09896605, 4,5-Dihydro-3-methyl-5-oxo-1H-pyrazole-4-propanoic acid
| Molecular Formula | C7H10N2O3 |
|---|---|
| Molecular Weight | 170.07 g/mol |
| LogP | -0.0269 |
| Topological Polar Surface Area | 78.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.06914 |
| Heavy Atoms | 12 |
| Complexity | 247.03604 |
Chemical Identifiers
| CAS Number | 90476-87-2 |
|---|---|
| SMILES | CC1=NNC(=O)C1CCC(=O)O |
Product Overview
3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoic acid (CAS 90476-87-2), with molecular formula C7H10N2O3 and molecular weight 170.07 g/mol. IUPAC: 3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanoic acid.
Chemical Property Profile of 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoic acid
Property Insights of 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoic acid
The XLogP value of -0.0269 indicates that 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)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-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoic acid?
The CAS number of 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoic acid is 90476-87-2.
What is the molecular formula of 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoic acid?
The molecular formula of 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoic acid is C7H10N2O3.
What is the molecular weight of 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoic acid?
The molecular weight of 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoic acid is 170.07 g/mol.
Where can I buy 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoic acid?
You can request a quote for 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)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-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.