5-tert-Butyl-1-phenyl-1H-pyrazole-3-carboxylic acid
TL;DR: 5-tert-Butyl-1-phenyl-1H-pyrazole-3-carboxylic acid (CAS 286435-97-0) 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.
5-tert-butyl-1-phenylpyrazole-3-carboxylic acid
Also Known As: 5-tert-Butyl-1-phenyl-1H-pyrazole-3-carboxylic acid, Maybridge1_005884, 5-tert-butyl-1-phenylpyrazole-3-carboxylic acid, 5-(tert-butyl)-1-phenyl-1H-pyrazole-3-carboxylic acid, BAS 05017589
| Molecular Formula | C14H16N2O2 |
|---|---|
| Molecular Weight | 244.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.12119 |
| Heavy Atoms | 18 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 286435-97-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=NN1C2=CC=CC=C2)C(=O)O |
| InChIKey | CBLDQVQVGAYZED-UHFFFAOYSA-N |
Product Overview
5-tert-Butyl-1-phenyl-1H-pyrazole-3-carboxylic acid (CAS 286435-97-0), with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol. IUPAC: 5-tert-butyl-1-phenylpyrazole-3-carboxylic acid.
Chemical Property Profile of 5-tert-Butyl-1-phenyl-1H-pyrazole-3-carboxylic acid
Property Insights of 5-tert-Butyl-1-phenyl-1H-pyrazole-3-carboxylic acid
The XLogP value of 3.5 indicates that 5-tert-Butyl-1-phenyl-1H-pyrazole-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 5-tert-Butyl-1-phenyl-1H-pyrazole-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-tert-Butyl-1-phenyl-1H-pyrazole-3-carboxylic acid has 1 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 5-tert-Butyl-1-phenyl-1H-pyrazole-3-carboxylic acid?
The CAS number of 5-tert-Butyl-1-phenyl-1H-pyrazole-3-carboxylic acid is 286435-97-0.
What is the molecular formula of 5-tert-Butyl-1-phenyl-1H-pyrazole-3-carboxylic acid?
The molecular formula of 5-tert-Butyl-1-phenyl-1H-pyrazole-3-carboxylic acid is C14H16N2O2.
What is the molecular weight of 5-tert-Butyl-1-phenyl-1H-pyrazole-3-carboxylic acid?
The molecular weight of 5-tert-Butyl-1-phenyl-1H-pyrazole-3-carboxylic acid is 244.12 g/mol.
Where can I buy 5-tert-Butyl-1-phenyl-1H-pyrazole-3-carboxylic acid?
You can request a quote for 5-tert-Butyl-1-phenyl-1H-pyrazole-3-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-1-phenyl-1H-pyrazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-tert-Butyl-1-phenyl-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.