Methyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-propanoate
TL;DR: Methyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-propanoate (CAS 512809-76-6) is a chemical compound with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoate
Also Known As: methyl 3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanoate, methyl 3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoate, methyl 3-(3,5-dimethyl-4-nitropyrazolyl)propanoate, Methyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-propanoate, (E)-3-(1,5-Dimethyl-1H-pyrazol-4-yl)-acrylic acid
| Molecular Formula | C9H13N3O4 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 0.97124 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.0906 |
| Heavy Atoms | 16 |
| Complexity | 424.63373 |
Chemical Identifiers
| CAS Number | 512809-76-6 |
|---|---|
| SMILES | CC1=C(C(=NN1CCC(=O)OC)C)[N+](=O)[O-] |
Product Overview
Methyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-propanoate (CAS 512809-76-6), with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol. IUPAC: methyl 3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoate.
Chemical Property Profile of Methyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-propanoate
Property Insights of Methyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-propanoate
The XLogP value of 0.97124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-propanoate. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-propanoate. Following Lipinski's Rule of Five, Methyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-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-dimethyl-4-nitro-1H-pyrazole-1-propanoate?
The CAS number of Methyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-propanoate is 512809-76-6.
What is the molecular formula of Methyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-propanoate?
The molecular formula of Methyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-propanoate is C9H13N3O4.
What is the molecular weight of Methyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-propanoate?
The molecular weight of Methyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-propanoate is 227.09 g/mol.
Where can I buy Methyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-propanoate?
You can request a quote for Methyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-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-dimethyl-4-nitro-1H-pyrazole-1-propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.