4-nitrophenyl 1-ethyl-1H-pyrazole-3-carboxylate
TL;DR: 4-nitrophenyl 1-ethyl-1H-pyrazole-3-carboxylate (CAS 514816-46-7) 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.
(4-nitrophenyl) 1-ethylpyrazole-3-carboxylate
Also Known As: 4-nitrophenyl 1-ethyl-1H-pyrazole-3-carboxylate, (4-nitrophenyl) 1-ethylpyrazole-3-carboxylate, 4-nitrophenyl 1-ethylpyrazole-3-carboxylate
| Molecular Formula | C12H11N3O4 |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | 2.0304 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.07495 |
| Heavy Atoms | 19 |
| Complexity | 603.692 |
Chemical Identifiers
| CAS Number | 514816-46-7 |
|---|---|
| SMILES | CCN1C=CC(=N1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-nitrophenyl 1-ethyl-1H-pyrazole-3-carboxylate (CAS 514816-46-7), with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol. IUPAC: (4-nitrophenyl) 1-ethylpyrazole-3-carboxylate.
Chemical Property Profile of 4-nitrophenyl 1-ethyl-1H-pyrazole-3-carboxylate
Property Insights of 4-nitrophenyl 1-ethyl-1H-pyrazole-3-carboxylate
The XLogP value of 2.0304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-nitrophenyl 1-ethyl-1H-pyrazole-3-carboxylate. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitrophenyl 1-ethyl-1H-pyrazole-3-carboxylate. Following Lipinski's Rule of Five, 4-nitrophenyl 1-ethyl-1H-pyrazole-3-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 4-nitrophenyl 1-ethyl-1H-pyrazole-3-carboxylate?
The CAS number of 4-nitrophenyl 1-ethyl-1H-pyrazole-3-carboxylate is 514816-46-7.
What is the molecular formula of 4-nitrophenyl 1-ethyl-1H-pyrazole-3-carboxylate?
The molecular formula of 4-nitrophenyl 1-ethyl-1H-pyrazole-3-carboxylate is C12H11N3O4.
What is the molecular weight of 4-nitrophenyl 1-ethyl-1H-pyrazole-3-carboxylate?
The molecular weight of 4-nitrophenyl 1-ethyl-1H-pyrazole-3-carboxylate is 261.07 g/mol.
Where can I buy 4-nitrophenyl 1-ethyl-1H-pyrazole-3-carboxylate?
You can request a quote for 4-nitrophenyl 1-ethyl-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 4-nitrophenyl 1-ethyl-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-nitrophenyl 1-ethyl-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.