ethyl 1-methyl-5-oxo-4H-pyrazole-3-carboxylate
TL;DR: ethyl 1-methyl-5-oxo-4H-pyrazole-3-carboxylate (CAS 51986-17-5) is a chemical compound with molecular formula C7H10N2O3 and molecular weight 170.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-methyl-5-oxo-4H-pyrazole-3-carboxylate
Also Known As: ethyl 1-methyl-5-oxo-4H-pyrazole-3-carboxylate, 3-Carboethoxy-1-methyl-5-pyrazolone, BB 0257794, ethyl1-methyl-5-oxo-4H-pyrazole-3-carboxylate, Ethyl 1-methyl-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate
| Molecular Formula | C7H10N2O3 |
|---|---|
| Molecular Weight | 170.07 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.06914 |
| Heavy Atoms | 12 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 51986-17-5 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)C1)C |
| InChIKey | DQFLWSBMPHOKEP-UHFFFAOYSA-N |
Product Overview
ethyl 1-methyl-5-oxo-4H-pyrazole-3-carboxylate (CAS 51986-17-5), with molecular formula C7H10N2O3 and molecular weight 170.07 g/mol. IUPAC: ethyl 1-methyl-5-oxo-4H-pyrazole-3-carboxylate.
Chemical Property Profile of ethyl 1-methyl-5-oxo-4H-pyrazole-3-carboxylate
Property Insights of ethyl 1-methyl-5-oxo-4H-pyrazole-3-carboxylate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1-methyl-5-oxo-4H-pyrazole-3-carboxylate. With a topological polar surface area (TPSA) of 59.0 Ų, ethyl 1-methyl-5-oxo-4H-pyrazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 1-methyl-5-oxo-4H-pyrazole-3-carboxylate has 0 hydrogen bond donor(s) and 4 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 ethyl 1-methyl-5-oxo-4H-pyrazole-3-carboxylate?
The CAS number of ethyl 1-methyl-5-oxo-4H-pyrazole-3-carboxylate is 51986-17-5.
What is the molecular formula of ethyl 1-methyl-5-oxo-4H-pyrazole-3-carboxylate?
The molecular formula of ethyl 1-methyl-5-oxo-4H-pyrazole-3-carboxylate is C7H10N2O3.
What is the molecular weight of ethyl 1-methyl-5-oxo-4H-pyrazole-3-carboxylate?
The molecular weight of ethyl 1-methyl-5-oxo-4H-pyrazole-3-carboxylate is 170.07 g/mol.
Where can I buy ethyl 1-methyl-5-oxo-4H-pyrazole-3-carboxylate?
You can request a quote for ethyl 1-methyl-5-oxo-4H-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 ethyl 1-methyl-5-oxo-4H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-methyl-5-oxo-4H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.