ethyl 1-phenyl-5-propyl-1H-pyrazole-4-carboxylate
TL;DR: ethyl 1-phenyl-5-propyl-1H-pyrazole-4-carboxylate (CAS 116344-12-8) 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.
ethyl 1-phenyl-5-propylpyrazole-4-carboxylate
Also Known As: ethyl 1-phenyl-5-propyl-1H-pyrazole-4-carboxylate, ethyl 1-phenyl-5-propylpyrazole-4-carboxylate, 1H-Pyrazole-4-carboxylicacid, 1-phenyl-5-propyl-, ethyl ester, ethyl 1-phenyl-5-propyl-pyrazole-4-carboxylate, Ethyl?1-phenyl-5-propyl-1H-pyrazole-4-carboxylate
Technical Specifications
| Molecular Formula | C15H18N2O2 |
| Molecular Weight | 258.13684 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 258.13684 Da |
| Heavy Atoms | 19 |
| Complexity | 290.0 |
| SMILES | CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC |
| InChIKey | NLPGHYPEJSXVNH-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 1-phenyl-5-propyl-1H-pyrazole-4-carboxylate
Property Insights of ethyl 1-phenyl-5-propyl-1H-pyrazole-4-carboxylate
The XLogP value of 3.3 indicates that ethyl 1-phenyl-5-propyl-1H-pyrazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, ethyl 1-phenyl-5-propyl-1H-pyrazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 1-phenyl-5-propyl-1H-pyrazole-4-carboxylate 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 1-phenyl-5-propyl-1H-pyrazole-4-carboxylate?
The CAS number of ethyl 1-phenyl-5-propyl-1H-pyrazole-4-carboxylate is 116344-12-8.
What is the molecular formula of ethyl 1-phenyl-5-propyl-1H-pyrazole-4-carboxylate?
The molecular formula of ethyl 1-phenyl-5-propyl-1H-pyrazole-4-carboxylate is C15H18N2O2.
What is the molecular weight of ethyl 1-phenyl-5-propyl-1H-pyrazole-4-carboxylate?
The molecular weight of ethyl 1-phenyl-5-propyl-1H-pyrazole-4-carboxylate is 258.13684 g/mol.
Where can I buy ethyl 1-phenyl-5-propyl-1H-pyrazole-4-carboxylate?
You can request a quote for ethyl 1-phenyl-5-propyl-1H-pyrazole-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 1-phenyl-5-propyl-1H-pyrazole-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 1-phenyl-5-propyl-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.