ethyl 1-(4-nitrophenyl)-5-propyl-1H-pyrazole-4-carboxylate
TL;DR: ethyl 1-(4-nitrophenyl)-5-propyl-1H-pyrazole-4-carboxylate (CAS 677277-07-5) is a chemical compound with molecular formula C15H17N3O4 and molecular weight 303.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(4-nitrophenyl)-5-propylpyrazole-4-carboxylate
Also Known As: Maybridge1_003972, ethyl 1-(4-nitrophenyl)-5-propylpyrazole-4-carboxylate, ethyl 1-(4-nitrophenyl)-5-propyl-1H-pyrazole-4-carboxylate
| Molecular Formula | C15H17N3O4 |
|---|---|
| Molecular Weight | 303.12 g/mol |
| LogP | 2.9097 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.12192 |
| Heavy Atoms | 22 |
| Complexity | 676.59607 |
Chemical Identifiers
| CAS Number | 677277-07-5 |
|---|---|
| SMILES | CCCC1=C(C=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC |
Product Overview
ethyl 1-(4-nitrophenyl)-5-propyl-1H-pyrazole-4-carboxylate (CAS 677277-07-5), with molecular formula C15H17N3O4 and molecular weight 303.12 g/mol. IUPAC: ethyl 1-(4-nitrophenyl)-5-propylpyrazole-4-carboxylate.
Chemical Property Profile of ethyl 1-(4-nitrophenyl)-5-propyl-1H-pyrazole-4-carboxylate
Property Insights of ethyl 1-(4-nitrophenyl)-5-propyl-1H-pyrazole-4-carboxylate
The XLogP value of 2.9097 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1-(4-nitrophenyl)-5-propyl-1H-pyrazole-4-carboxylate. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1-(4-nitrophenyl)-5-propyl-1H-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, ethyl 1-(4-nitrophenyl)-5-propyl-1H-pyrazole-4-carboxylate has 0 hydrogen bond donor(s) and 5 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 1-(4-nitrophenyl)-5-propyl-1H-pyrazole-4-carboxylate?
The CAS number of ethyl 1-(4-nitrophenyl)-5-propyl-1H-pyrazole-4-carboxylate is 677277-07-5.
What is the molecular formula of ethyl 1-(4-nitrophenyl)-5-propyl-1H-pyrazole-4-carboxylate?
The molecular formula of ethyl 1-(4-nitrophenyl)-5-propyl-1H-pyrazole-4-carboxylate is C15H17N3O4.
What is the molecular weight of ethyl 1-(4-nitrophenyl)-5-propyl-1H-pyrazole-4-carboxylate?
The molecular weight of ethyl 1-(4-nitrophenyl)-5-propyl-1H-pyrazole-4-carboxylate is 303.12 g/mol.
Where can I buy ethyl 1-(4-nitrophenyl)-5-propyl-1H-pyrazole-4-carboxylate?
You can request a quote for ethyl 1-(4-nitrophenyl)-5-propyl-1H-pyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 1-(4-nitrophenyl)-5-propyl-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-(4-nitrophenyl)-5-propyl-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.