Ethyl 1H-pyrazole-1-butanoate
TL;DR: Ethyl 1H-pyrazole-1-butanoate (CAS 110525-55-8) is a chemical compound with molecular formula C9H14N2O2 and molecular weight 182.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-pyrazol-1-ylbutanoate
Also Known As: ethyl 4-(1H-pyrazol-1-yl)butanoate, ethyl 4-pyrazol-1-ylbutanoate, Pyrazole-1-butyric acid, ethyl ester, Ethyl pyrazol-1-ylbutanoate, ethyl 4-pyrazolylbutanoate
Technical Specifications
| Molecular Formula | C9H14N2O2 |
| Molecular Weight | 182.10553 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 182.10553 Da |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
| SMILES | CCOC(=O)CCCN1C=CC=N1 |
| InChIKey | FGGKUMKJPXBPNS-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 1H-pyrazole-1-butanoate
Property Insights of Ethyl 1H-pyrazole-1-butanoate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1H-pyrazole-1-butanoate. With a topological polar surface area (TPSA) of 44.1 Ų, Ethyl 1H-pyrazole-1-butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1H-pyrazole-1-butanoate has 0 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 Ethyl 1H-pyrazole-1-butanoate?
The CAS number of Ethyl 1H-pyrazole-1-butanoate is 110525-55-8.
What is the molecular formula of Ethyl 1H-pyrazole-1-butanoate?
The molecular formula of Ethyl 1H-pyrazole-1-butanoate is C9H14N2O2.
What is the molecular weight of Ethyl 1H-pyrazole-1-butanoate?
The molecular weight of Ethyl 1H-pyrazole-1-butanoate is 182.10553 g/mol.
Where can I buy Ethyl 1H-pyrazole-1-butanoate?
You can request a quote for Ethyl 1H-pyrazole-1-butanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 1H-pyrazole-1-butanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 1H-pyrazole-1-butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.