1-Benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid
TL;DR: 1-Benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid (CAS 100957-85-5) is a chemical compound with molecular formula C15H18N2O2 and molecular weight 258.13684 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-3-tert-butylpyrazole-5-carboxylic acid
Also Known As: 1-BENZYL-3-(TERT-BUTYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID, SORT-PGRN interaction inhibitor 1, Maybridge1_008889, 1-benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid, 2-benzyl-5-tert-butylpyrazole-3-carboxylic acid
Technical Specifications
| Molecular Formula | C15H18N2O2 |
| Molecular Weight | 258.13684 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.13684 Da |
| Heavy Atoms | 19 |
| Complexity | 319.0 |
| SMILES | CC(C)(C)C1=NN(C(=C1)C(=O)O)CC2=CC=CC=C2 |
| InChIKey | IJXYLILRNVOJNF-UHFFFAOYSA-N |
Chemical Property Profile of 1-Benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid
Property Insights of 1-Benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid
The XLogP value of 3.4 indicates that 1-Benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 1-Benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3-tert-butyl-1H-pyrazole-5-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-Benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid?
The CAS number of 1-Benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid is 100957-85-5.
What is the molecular formula of 1-Benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid?
The molecular formula of 1-Benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid is C15H18N2O2.
What is the molecular weight of 1-Benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid?
The molecular weight of 1-Benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid is 258.13684 g/mol.
Where can I buy 1-Benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid?
You can request a quote for 1-Benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-Benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.