methyl (4-nitro-1H-pyrazol-1-yl)acetate
TL;DR: methyl (4-nitro-1H-pyrazol-1-yl)acetate (CAS 6715-84-0) is a chemical compound with molecular formula C6H7N3O4 and molecular weight 185.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-nitropyrazol-1-yl)acetate
Also Known As: methyl (4-nitro-1H-pyrazol-1-yl)acetate, Methyl 4-Nitro-1H-pyrazole-1-acetate, methyl 2-(4-nitro-1H-pyrazol-1-yl)acetate, Methyl 2-(4-nitropyrazol-1-yl)acetate, methyl 2-(4-nitropyrazolyl)acetate
| Molecular Formula | C6H7N3O4 |
|---|---|
| Molecular Weight | 185.04 g/mol |
| LogP | -0.0357 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.04366 |
| Heavy Atoms | 13 |
| Complexity | 332.37527 |
Chemical Identifiers
| CAS Number | 6715-84-0 |
|---|---|
| SMILES | COC(=O)CN1C=C(C=N1)[N+](=O)[O-] |
Product Overview
methyl (4-nitro-1H-pyrazol-1-yl)acetate (CAS 6715-84-0), with molecular formula C6H7N3O4 and molecular weight 185.04 g/mol. IUPAC: methyl 2-(4-nitropyrazol-1-yl)acetate.
Chemical Property Profile of methyl (4-nitro-1H-pyrazol-1-yl)acetate
Property Insights of methyl (4-nitro-1H-pyrazol-1-yl)acetate
The XLogP value of -0.0357 indicates that methyl (4-nitro-1H-pyrazol-1-yl)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (4-nitro-1H-pyrazol-1-yl)acetate. Following Lipinski's Rule of Five, methyl (4-nitro-1H-pyrazol-1-yl)acetate 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 methyl (4-nitro-1H-pyrazol-1-yl)acetate?
The CAS number of methyl (4-nitro-1H-pyrazol-1-yl)acetate is 6715-84-0.
What is the molecular formula of methyl (4-nitro-1H-pyrazol-1-yl)acetate?
The molecular formula of methyl (4-nitro-1H-pyrazol-1-yl)acetate is C6H7N3O4.
What is the molecular weight of methyl (4-nitro-1H-pyrazol-1-yl)acetate?
The molecular weight of methyl (4-nitro-1H-pyrazol-1-yl)acetate is 185.04 g/mol.
Where can I buy methyl (4-nitro-1H-pyrazol-1-yl)acetate?
You can request a quote for methyl (4-nitro-1H-pyrazol-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (4-nitro-1H-pyrazol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (4-nitro-1H-pyrazol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.