5-tert-butyl-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid
TL;DR: 5-tert-butyl-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid (CAS 956758-73-9) is a chemical compound with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-3-methyl-1-phenylpyrazole-4-carboxylic acid
Also Known As: 5-tert-butyl-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid, 5-(tert-butyl)-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid, 5-tert-butyl-3-methyl-1-phenylpyrazole-4-carboxylic acid, 5-(1,1-Dimethylethyl)-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid, 3-methyl-1-phenyl-5-tert-butyl-pyrazole-4-carboxylic Acid
| Molecular Formula | C15H18N2O2 |
|---|---|
| Molecular Weight | 258.14 g/mol |
| LogP | 3.17642 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.13684 |
| Heavy Atoms | 19 |
| Complexity | 607.0661 |
Chemical Identifiers
| CAS Number | 956758-73-9 |
|---|---|
| SMILES | CC1=NN(C(=C1C(=O)O)C(C)(C)C)C2=CC=CC=C2 |
Product Overview
5-tert-butyl-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid (CAS 956758-73-9), with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol. IUPAC: 5-tert-butyl-3-methyl-1-phenylpyrazole-4-carboxylic acid.
Chemical Property Profile of 5-tert-butyl-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid
Property Insights of 5-tert-butyl-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid
The XLogP value of 3.17642 indicates that 5-tert-butyl-3-methyl-1-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, 5-tert-butyl-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-tert-butyl-3-methyl-1-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 5-tert-butyl-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid?
The CAS number of 5-tert-butyl-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid is 956758-73-9.
What is the molecular formula of 5-tert-butyl-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid?
The molecular formula of 5-tert-butyl-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid is C15H18N2O2.
What is the molecular weight of 5-tert-butyl-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid?
The molecular weight of 5-tert-butyl-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid is 258.14 g/mol.
Where can I buy 5-tert-butyl-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid?
You can request a quote for 5-tert-butyl-3-methyl-1-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 5-tert-butyl-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-tert-butyl-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.