3-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
TL;DR: 3-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid (CAS 956438-19-0) is a chemical compound with molecular formula C12H20N2O2 and molecular weight 224.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoic acid
Also Known As: 3-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid, 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoic Acid, 3-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]propanoic acid, 3-(1-Isobutyl-3,5-dimethyl-4-pyrazolyl)propanoic Acid, 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propanoic acid
| Molecular Formula | C12H20N2O2 |
|---|---|
| Molecular Weight | 224.15 g/mol |
| LogP | 2.17314 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.15248 |
| Heavy Atoms | 16 |
| Complexity | 380.61563 |
Chemical Identifiers
| CAS Number | 956438-19-0 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(C)C)C)CCC(=O)O |
Product Overview
3-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid (CAS 956438-19-0), with molecular formula C12H20N2O2 and molecular weight 224.15 g/mol. IUPAC: 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoic acid.
Chemical Property Profile of 3-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
Property Insights of 3-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
The XLogP value of 2.17314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 3-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid has 1 hydrogen bond donor(s) and 2 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-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid?
The CAS number of 3-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid is 956438-19-0.
What is the molecular formula of 3-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid?
The molecular formula of 3-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid is C12H20N2O2.
What is the molecular weight of 3-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid?
The molecular weight of 3-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid is 224.15 g/mol.
Where can I buy 3-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid?
You can request a quote for 3-(1-isobutyl-3,5-dimethyl-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-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.