1-Benzyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
TL;DR: 1-Benzyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde (CAS 2644-94-2) is a chemical compound with molecular formula C13H14N2O and molecular weight 214.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3,5-dimethylpyrazole-4-carbaldehyde
Also Known As: 1-Benzyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde, 1-benzyl-3,5-dimethylpyrazole-4-carbaldehyde, 1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-(phenylmethyl)-, BAS 03395079, 1H-Pyrazole-4-carboxaldehyde,3,5-dimethyl-1-(phenylmethyl)-
| Molecular Formula | C13H14N2O |
|---|---|
| Molecular Weight | 214.11 g/mol |
| LogP | 2.36074 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.11061 |
| Heavy Atoms | 16 |
| Complexity | 500.15118 |
Chemical Identifiers
| CAS Number | 2644-94-2 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC=CC=C2)C)C=O |
Product Overview
1-Benzyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde (CAS 2644-94-2), with molecular formula C13H14N2O and molecular weight 214.11 g/mol. IUPAC: 1-benzyl-3,5-dimethylpyrazole-4-carbaldehyde.
Chemical Property Profile of 1-Benzyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
Property Insights of 1-Benzyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
The XLogP value of 2.36074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde. With a topological polar surface area (TPSA) of 34.89 Ų, 1-Benzyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde has 0 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 1-Benzyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde?
The CAS number of 1-Benzyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde is 2644-94-2.
What is the molecular formula of 1-Benzyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde?
The molecular formula of 1-Benzyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde is C13H14N2O.
What is the molecular weight of 1-Benzyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde?
The molecular weight of 1-Benzyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde is 214.11 g/mol.
Where can I buy 1-Benzyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde?
You can request a quote for 1-Benzyl-3,5-dimethyl-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 1-Benzyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.