1H-Pyrazole-3-carboxylic acid, butyl ester
TL;DR: 1H-Pyrazole-3-carboxylic acid, butyl ester (CAS 122609-00-1) is a chemical compound with molecular formula C8H12N2O2 and molecular weight 168.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl 1H-pyrazole-5-carboxylate
Also Known As: butyl 1H-pyrazole-5-carboxylate, butyl 1H-pyrazole-3-carboxylate, 1H-Pyrazole-3-carboxylic acid, butyl ester, Butyl 2H-pyrazole-3-carboxylate, 1H-Pyrazole-3-carboxylicacid, butyl ester
Technical Specifications
| Molecular Formula | C8H12N2O2 |
| Molecular Weight | 168.08987 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 168.08987 Da |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
| SMILES | CCCCOC(=O)C1=CC=NN1 |
| InChIKey | QFFIYHQSONBHJM-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Pyrazole-3-carboxylic acid, butyl ester
Property Insights of 1H-Pyrazole-3-carboxylic acid, butyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-3-carboxylic acid, butyl ester. With a topological polar surface area (TPSA) of 55.0 Ų, 1H-Pyrazole-3-carboxylic acid, butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrazole-3-carboxylic acid, butyl ester 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 1H-Pyrazole-3-carboxylic acid, butyl ester?
The CAS number of 1H-Pyrazole-3-carboxylic acid, butyl ester is 122609-00-1.
What is the molecular formula of 1H-Pyrazole-3-carboxylic acid, butyl ester?
The molecular formula of 1H-Pyrazole-3-carboxylic acid, butyl ester is C8H12N2O2.
What is the molecular weight of 1H-Pyrazole-3-carboxylic acid, butyl ester?
The molecular weight of 1H-Pyrazole-3-carboxylic acid, butyl ester is 168.08987 g/mol.
Where can I buy 1H-Pyrazole-3-carboxylic acid, butyl ester?
You can request a quote for 1H-Pyrazole-3-carboxylic acid, butyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Pyrazole-3-carboxylic acid, butyl ester?
Yes, CoreyChem provides custom synthesis services for 1H-Pyrazole-3-carboxylic acid, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.