2-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methylbutanoic acid
TL;DR: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methylbutanoic acid (CAS 957513-81-4) is a chemical compound with molecular formula C10H16N2O2 and molecular weight 196.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dimethylpyrazol-1-yl)-3-methylbutanoic acid
Also Known As: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methylbutanoic acid, 2-(3,5-Dimethyl-pyrazol-1-yl)-3-methyl-butyric acid, 2-(3,5-dimethylpyrazol-1-yl)-3-methylbutanoic acid, BAS 05022631, 2-(3,5-dimethylpyrazolyl)-3-methylbutanoic acid
| Molecular Formula | C10H16N2O2 |
|---|---|
| Molecular Weight | 196.12 g/mol |
| LogP | 1.78164 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.12119 |
| Heavy Atoms | 14 |
| Complexity | 341.89124 |
Chemical Identifiers
| CAS Number | 957513-81-4 |
|---|---|
| SMILES | CC1=CC(=NN1C(C(C)C)C(=O)O)C |
Product Overview
2-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methylbutanoic acid (CAS 957513-81-4), with molecular formula C10H16N2O2 and molecular weight 196.12 g/mol. IUPAC: 2-(3,5-dimethylpyrazol-1-yl)-3-methylbutanoic acid.
Chemical Property Profile of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methylbutanoic acid
Property Insights of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methylbutanoic acid
The XLogP value of 1.78164 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methylbutanoic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methylbutanoic 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 2-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methylbutanoic acid?
The CAS number of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methylbutanoic acid is 957513-81-4.
What is the molecular formula of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methylbutanoic acid?
The molecular formula of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methylbutanoic acid is C10H16N2O2.
What is the molecular weight of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methylbutanoic acid?
The molecular weight of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methylbutanoic acid is 196.12 g/mol.
Where can I buy 2-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methylbutanoic acid?
You can request a quote for 2-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.