3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid
TL;DR: 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid (CAS 61226-19-5) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-1-phenylpyrazole-4-carboxylic acid
Also Known As: 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid, 3,5-dimethyl-1-phenylpyrazole-4-carboxylic acid, BAS 06481381, 1-benzyl-4-(alpha-cyanobenzyl)-piperidine, 3,5-Dimethyl-1-Phenyl-1h-Pyrazole-4-CarboxylicAcid
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 61226-19-5 |
|---|---|
| SMILES | CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)O |
| InChIKey | LPYTYYLNGJGJGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid (CAS 61226-19-5), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 3,5-dimethyl-1-phenylpyrazole-4-carboxylic acid.
Chemical Property Profile of 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid
Property Insights of 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-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 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid?
The CAS number of 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid is 61226-19-5.
What is the molecular formula of 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid?
The molecular formula of 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid is C12H12N2O2.
What is the molecular weight of 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid?
The molecular weight of 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid is 216.09 g/mol.
Where can I buy 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid?
You can request a quote for 3,5-Dimethyl-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 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.