Ethyl 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylate
TL;DR: Ethyl 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylate (CAS 1316754-30-9) is a chemical compound with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-nitrophenyl)-1H-pyrazole-5-carboxylate
Also Known As: Ethyl 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylate, Ethyl 3-(4-nitrophenyl)-1H-pyrazole-5-carboxylate, 2-(4-Nitro-phenyl)-1H-imidazole-4-carboxylic acid ethylester, Ethyl 5-[p-nitrophenyl]-pyrazole-3-carboxylate, J2.708.837F
| Molecular Formula | C12H11N3O4 |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.07495 |
| Heavy Atoms | 19 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 1316754-30-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=NN1)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | XRUYCGGHAQQEFP-UHFFFAOYSA-N |
Product Overview
Ethyl 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylate (CAS 1316754-30-9), with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol. IUPAC: ethyl 3-(4-nitrophenyl)-1H-pyrazole-5-carboxylate.
Chemical Property Profile of Ethyl 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylate
Property Insights of Ethyl 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylate has 1 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 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylate?
The CAS number of Ethyl 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylate is 1316754-30-9.
What is the molecular formula of Ethyl 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylate?
The molecular formula of Ethyl 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylate is C12H11N3O4.
What is the molecular weight of Ethyl 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylate?
The molecular weight of Ethyl 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylate is 261.07 g/mol.
Where can I buy Ethyl 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylate?
You can request a quote for Ethyl 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.