1-(1,1-Dimethylethyl)-5-propyl-1H-pyrazole-4-carboxylic acid
TL;DR: 1-(1,1-Dimethylethyl)-5-propyl-1H-pyrazole-4-carboxylic acid (CAS 1002284-38-9) is a chemical compound with molecular formula C11H18N2O2 and molecular weight 210.13683 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-tert-butyl-5-propylpyrazole-4-carboxylic acid
Also Known As: 1-tert-butyl-5-propylpyrazole-4-carboxylic acid, 5-propyl-1-tert-butyl-pyrazole-4-carboxylic Acid, 1-tert-Butyl-5-propyl-1H-pyrazole-4-carboxylic acid, 1-(1,1-Dimethylethyl)-5-propyl-1H-pyrazole-4-carboxylic acid
Technical Specifications
| Molecular Formula | C11H18N2O2 |
| Molecular Weight | 210.13683 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.13683 Da |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
| SMILES | CCCC1=C(C=NN1C(C)(C)C)C(=O)O |
| InChIKey | DMBYKEVRCOXMKC-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1,1-Dimethylethyl)-5-propyl-1H-pyrazole-4-carboxylic acid
Property Insights of 1-(1,1-Dimethylethyl)-5-propyl-1H-pyrazole-4-carboxylic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,1-Dimethylethyl)-5-propyl-1H-pyrazole-4-carboxylic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 1-(1,1-Dimethylethyl)-5-propyl-1H-pyrazole-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,1-Dimethylethyl)-5-propyl-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
What is the CAS number of 1-(1,1-Dimethylethyl)-5-propyl-1H-pyrazole-4-carboxylic acid?
The CAS number of 1-(1,1-Dimethylethyl)-5-propyl-1H-pyrazole-4-carboxylic acid is 1002284-38-9.
What is the molecular formula of 1-(1,1-Dimethylethyl)-5-propyl-1H-pyrazole-4-carboxylic acid?
The molecular formula of 1-(1,1-Dimethylethyl)-5-propyl-1H-pyrazole-4-carboxylic acid is C11H18N2O2.
What is the molecular weight of 1-(1,1-Dimethylethyl)-5-propyl-1H-pyrazole-4-carboxylic acid?
The molecular weight of 1-(1,1-Dimethylethyl)-5-propyl-1H-pyrazole-4-carboxylic acid is 210.13683 g/mol.
Where can I buy 1-(1,1-Dimethylethyl)-5-propyl-1H-pyrazole-4-carboxylic acid?
You can request a quote for 1-(1,1-Dimethylethyl)-5-propyl-1H-pyrazole-4-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(1,1-Dimethylethyl)-5-propyl-1H-pyrazole-4-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-(1,1-Dimethylethyl)-5-propyl-1H-pyrazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.