1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid
TL;DR: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid (CAS 956411-60-2) is a chemical compound with molecular formula C15H15N3O2 and molecular weight 269.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carboxylic acid
Also Known As: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid, 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carboxylic Acid, 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1H-pyrazole-4-carboxylicacid
| Molecular Formula | C15H15N3O2 |
|---|---|
| Molecular Weight | 269.12 g/mol |
| LogP | 2.77882 |
| Topological Polar Surface Area | 78.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.11642 |
| Heavy Atoms | 20 |
| Complexity | 695.6296 |
Chemical Identifiers
| CAS Number | 956411-60-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)O)CCC#N)C |
Product Overview
1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid (CAS 956411-60-2), with molecular formula C15H15N3O2 and molecular weight 269.12 g/mol. IUPAC: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carboxylic acid.
Chemical Property Profile of 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid
Property Insights of 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid
The XLogP value of 2.77882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid. The TPSA of 78.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid. Following Lipinski's Rule of Five, 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-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 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid?
The CAS number of 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid is 956411-60-2.
What is the molecular formula of 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid?
The molecular formula of 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid is C15H15N3O2.
What is the molecular weight of 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid?
The molecular weight of 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid is 269.12 g/mol.
Where can I buy 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid?
You can request a quote for 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-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-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.