3-(2,5-dimethylphenyl)-1H-pyrazole-4-carbaldehyde
TL;DR: 3-(2,5-dimethylphenyl)-1H-pyrazole-4-carbaldehyde (CAS 720696-71-9) is a chemical compound with molecular formula C12H12N2O and molecular weight 200.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,5-dimethylphenyl)-1H-pyrazole-4-carbaldehyde
Also Known As: 3-(2,5-dimethylphenyl)-1H-pyrazole-4-carbaldehyde, 5-(2,5-dimethylphenyl)-1H-pyrazole-4-carbaldehyde, CHEMBRDG-BB 4012160, 1H-pyrazole-4-carboxaldehyde, 3-(2,5-dimethylphenyl)-, 3-(2,5-Dimethylphenyl)-1h-pyrazole-4-carboxaldehyde
| Molecular Formula | C12H12N2O |
|---|---|
| Molecular Weight | 200.09 g/mol |
| LogP | 2.50604 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.09496 |
| Heavy Atoms | 15 |
| Complexity | 500.07327 |
Chemical Identifiers
| CAS Number | 720696-71-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)C2=C(C=NN2)C=O |
Product Overview
3-(2,5-dimethylphenyl)-1H-pyrazole-4-carbaldehyde (CAS 720696-71-9), with molecular formula C12H12N2O and molecular weight 200.09 g/mol. IUPAC: 5-(2,5-dimethylphenyl)-1H-pyrazole-4-carbaldehyde.
Chemical Property Profile of 3-(2,5-dimethylphenyl)-1H-pyrazole-4-carbaldehyde
Property Insights of 3-(2,5-dimethylphenyl)-1H-pyrazole-4-carbaldehyde
The XLogP value of 2.50604 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,5-dimethylphenyl)-1H-pyrazole-4-carbaldehyde. With a topological polar surface area (TPSA) of 45.75 Ų, 3-(2,5-dimethylphenyl)-1H-pyrazole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,5-dimethylphenyl)-1H-pyrazole-4-carbaldehyde 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 3-(2,5-dimethylphenyl)-1H-pyrazole-4-carbaldehyde?
The CAS number of 3-(2,5-dimethylphenyl)-1H-pyrazole-4-carbaldehyde is 720696-71-9.
What is the molecular formula of 3-(2,5-dimethylphenyl)-1H-pyrazole-4-carbaldehyde?
The molecular formula of 3-(2,5-dimethylphenyl)-1H-pyrazole-4-carbaldehyde is C12H12N2O.
What is the molecular weight of 3-(2,5-dimethylphenyl)-1H-pyrazole-4-carbaldehyde?
The molecular weight of 3-(2,5-dimethylphenyl)-1H-pyrazole-4-carbaldehyde is 200.09 g/mol.
Where can I buy 3-(2,5-dimethylphenyl)-1H-pyrazole-4-carbaldehyde?
You can request a quote for 3-(2,5-dimethylphenyl)-1H-pyrazole-4-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,5-dimethylphenyl)-1H-pyrazole-4-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,5-dimethylphenyl)-1H-pyrazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.