1-tert-butyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
TL;DR: 1-tert-butyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde (CAS 647829-00-3) is a chemical compound with molecular formula C10H16N2O and molecular weight 180.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3,5-dimethylpyrazole-4-carbaldehyde
Also Known As: 1-Tert-Butyl-3,5-Dimethyl-1H-Pyrazole-4-Carbaldehyde, 1-(tert-butyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde, Buttpark 99\12-15, 2,5-DIBROMOACETOPHENONE, 1-tert-butyl-3,5-dimethylpyrazole-4-carbaldehyde
| Molecular Formula | C10H16N2O |
|---|---|
| Molecular Weight | 180.13 g/mol |
| LogP | 2.06744 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.12627 |
| Heavy Atoms | 13 |
| Complexity | 331.42932 |
Chemical Identifiers
| CAS Number | 647829-00-3 |
|---|---|
| SMILES | CC1=C(C(=NN1C(C)(C)C)C)C=O |
Product Overview
1-tert-butyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde (CAS 647829-00-3), with molecular formula C10H16N2O and molecular weight 180.13 g/mol. IUPAC: 1-tert-butyl-3,5-dimethylpyrazole-4-carbaldehyde.
Chemical Property Profile of 1-tert-butyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
Property Insights of 1-tert-butyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
The XLogP value of 2.06744 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-tert-butyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde. With a topological polar surface area (TPSA) of 34.89 Ų, 1-tert-butyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-tert-butyl-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-tert-butyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde?
The CAS number of 1-tert-butyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde is 647829-00-3.
What is the molecular formula of 1-tert-butyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde?
The molecular formula of 1-tert-butyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde is C10H16N2O.
What is the molecular weight of 1-tert-butyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde?
The molecular weight of 1-tert-butyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde is 180.13 g/mol.
Where can I buy 1-tert-butyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde?
You can request a quote for 1-tert-butyl-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-tert-butyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-butyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.