ethyl 4-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate
TL;DR: ethyl 4-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate (CAS 701217-05-2) is a chemical compound with molecular formula C15H18N2O3 and molecular weight 274.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(5-oxo-3-propyl-4H-pyrazol-1-yl)benzoate
Also Known As: ethyl 4-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate, ethyl 4-(5-oxo-3-propyl-4H-pyrazol-1-yl)benzoate, ethyl 4-(5-oxo-3-propyl-2-pyrazolinyl)benzoate
| Molecular Formula | C15H18N2O3 |
|---|---|
| Molecular Weight | 274.13 g/mol |
| LogP | 2.7561 |
| Topological Polar Surface Area | 58.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.13174 |
| Heavy Atoms | 20 |
| Complexity | 534.55457 |
Chemical Identifiers
| CAS Number | 701217-05-2 |
|---|---|
| SMILES | CCCC1=NN(C(=O)C1)C2=CC=C(C=C2)C(=O)OCC |
Product Overview
ethyl 4-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate (CAS 701217-05-2), with molecular formula C15H18N2O3 and molecular weight 274.13 g/mol. IUPAC: ethyl 4-(5-oxo-3-propyl-4H-pyrazol-1-yl)benzoate.
Chemical Property Profile of ethyl 4-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate
Property Insights of ethyl 4-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate
The XLogP value of 2.7561 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate. With a topological polar surface area (TPSA) of 58.97 Ų, ethyl 4-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate has 0 hydrogen bond donor(s) and 4 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 ethyl 4-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate?
The CAS number of ethyl 4-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate is 701217-05-2.
What is the molecular formula of ethyl 4-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate?
The molecular formula of ethyl 4-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate is C15H18N2O3.
What is the molecular weight of ethyl 4-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate?
The molecular weight of ethyl 4-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate is 274.13 g/mol.
Where can I buy ethyl 4-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate?
You can request a quote for ethyl 4-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.