Methyl 3-(4-nitrophenyl)-1H-pyrazole-3-acetate
TL;DR: Methyl 3-(4-nitrophenyl)-1H-pyrazole-3-acetate (CAS 959575-24-7) is a chemical compound with molecular formula C11H11N3O4 and molecular weight 249.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-nitrophenyl)-1,2-dihydropyrazole-3-carboxylate
Also Known As: Methyl 3-(4-nitrophenyl)-1,2-dihydropyrazole-3-carboxylate, Methyl 3-(4-nitrophenyl)-1H-pyrazole-3-acetate, Methyl 3-(4-nitrophenyl)-2,3-dihydro-1H-pyrazole-3-carboxylate
| Molecular Formula | C11H11N3O4 |
|---|---|
| Molecular Weight | 249.07 g/mol |
| LogP | 0.5846 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.07495 |
| Heavy Atoms | 18 |
| Complexity | 511.52454 |
Chemical Identifiers
| CAS Number | 959575-24-7 |
|---|---|
| SMILES | COC(=O)C1(C=CNN1)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
Methyl 3-(4-nitrophenyl)-1H-pyrazole-3-acetate (CAS 959575-24-7), with molecular formula C11H11N3O4 and molecular weight 249.07 g/mol. IUPAC: methyl 3-(4-nitrophenyl)-1,2-dihydropyrazole-3-carboxylate.
Chemical Property Profile of Methyl 3-(4-nitrophenyl)-1H-pyrazole-3-acetate
Property Insights of Methyl 3-(4-nitrophenyl)-1H-pyrazole-3-acetate
The XLogP value of 0.5846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(4-nitrophenyl)-1H-pyrazole-3-acetate. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(4-nitrophenyl)-1H-pyrazole-3-acetate. Following Lipinski's Rule of Five, Methyl 3-(4-nitrophenyl)-1H-pyrazole-3-acetate has 2 hydrogen bond donor(s) and 6 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 Methyl 3-(4-nitrophenyl)-1H-pyrazole-3-acetate?
The CAS number of Methyl 3-(4-nitrophenyl)-1H-pyrazole-3-acetate is 959575-24-7.
What is the molecular formula of Methyl 3-(4-nitrophenyl)-1H-pyrazole-3-acetate?
The molecular formula of Methyl 3-(4-nitrophenyl)-1H-pyrazole-3-acetate is C11H11N3O4.
What is the molecular weight of Methyl 3-(4-nitrophenyl)-1H-pyrazole-3-acetate?
The molecular weight of Methyl 3-(4-nitrophenyl)-1H-pyrazole-3-acetate is 249.07 g/mol.
Where can I buy Methyl 3-(4-nitrophenyl)-1H-pyrazole-3-acetate?
You can request a quote for Methyl 3-(4-nitrophenyl)-1H-pyrazole-3-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(4-nitrophenyl)-1H-pyrazole-3-acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-nitrophenyl)-1H-pyrazole-3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.