1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxylic acid
TL;DR: 1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxylic acid (CAS 936129-68-9) is a chemical compound with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-5-phenylpyrazole-4-carboxylic acid
Also Known As: 1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxylic acid, 1-tert-butyl-5-phenylpyrazole-4-carboxylic acid, 5-phenyl-1-tert-butyl-pyrazole-4-carboxylic Acid, 1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxylicacid, 981-315-9
| Molecular Formula | C14H16N2O2 |
|---|---|
| Molecular Weight | 244.12 g/mol |
| LogP | 3.0033 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.12119 |
| Heavy Atoms | 18 |
| Complexity | 565.2251 |
Chemical Identifiers
| CAS Number | 936129-68-9 |
|---|---|
| SMILES | CC(C)(C)N1C(=C(C=N1)C(=O)O)C2=CC=CC=C2 |
Product Overview
1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxylic acid (CAS 936129-68-9), with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol. IUPAC: 1-tert-butyl-5-phenylpyrazole-4-carboxylic acid.
Chemical Property Profile of 1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxylic acid
Property Insights of 1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxylic acid
The XLogP value of 3.0033 indicates that 1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.12 Ų, 1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxylic 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 1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxylic acid?
The CAS number of 1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxylic acid is 936129-68-9.
What is the molecular formula of 1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxylic acid?
The molecular formula of 1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxylic acid is C14H16N2O2.
What is the molecular weight of 1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxylic acid?
The molecular weight of 1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxylic acid is 244.12 g/mol.
Where can I buy 1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxylic acid?
You can request a quote for 1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.