methyl 3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanoate
TL;DR: methyl 3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanoate (CAS 1002033-58-0) is a chemical compound with molecular formula C8H11N3O4 and molecular weight 213.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(5-methyl-3-nitropyrazol-1-yl)propanoate
Also Known As: methyl 3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanoate, methyl 3-(5-methyl-3-nitropyrazol-1-yl)propanoate, methyl 3-(5-methyl-3-nitropyrazolyl)propanoate, 3-(5-Methyl-3-nitro-pyrazol-1-yl)-propionic acid methyl ester, Methyl 5-methyl-3-nitro-1H-pyrazole-1-propanoate
| Molecular Formula | C8H11N3O4 |
|---|---|
| Molecular Weight | 213.07 g/mol |
| LogP | 0.66282 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.07495 |
| Heavy Atoms | 15 |
| Complexity | 385.23856 |
Chemical Identifiers
| CAS Number | 1002033-58-0 |
|---|---|
| SMILES | CC1=CC(=NN1CCC(=O)OC)[N+](=O)[O-] |
Product Overview
methyl 3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanoate (CAS 1002033-58-0), with molecular formula C8H11N3O4 and molecular weight 213.07 g/mol. IUPAC: methyl 3-(5-methyl-3-nitropyrazol-1-yl)propanoate.
Chemical Property Profile of methyl 3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanoate
Property Insights of methyl 3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanoate
The XLogP value of 0.66282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanoate. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanoate. Following Lipinski's Rule of Five, methyl 3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanoate 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 3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanoate?
The CAS number of methyl 3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanoate is 1002033-58-0.
What is the molecular formula of methyl 3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanoate?
The molecular formula of methyl 3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanoate is C8H11N3O4.
What is the molecular weight of methyl 3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanoate?
The molecular weight of methyl 3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanoate is 213.07 g/mol.
Where can I buy methyl 3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanoate?
You can request a quote for methyl 3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.