Ethyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate
TL;DR: Ethyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate (CAS 40711-34-0) 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 2-methyl-5-oxo-1H-pyrazole-3-carboxylate
Also Known As: Ethyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate, ethyl 2-methyl-5-oxo-1H-pyrazole-3-carboxylate, ethyl 3-hydroxy-1-methyl-1H-pyrazole-5-carboxylate, 2,5-DIHYDRO-2-METHYL-5-OXO-1H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER, 3-Hydroxy-1-methyl-5-pyrazolcarbonsaeure-ethyleste
| Molecular Formula | C7H10N2O3 |
|---|---|
| Molecular Weight | 170.07 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.06914 |
| Heavy Atoms | 12 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 40711-34-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)NN1C |
| InChIKey | YMBWWRQULHMZBY-UHFFFAOYSA-N |
Product Overview
Ethyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate (CAS 40711-34-0), with molecular formula C7H10N2O3 and molecular weight 170.07 g/mol. IUPAC: ethyl 2-methyl-5-oxo-1H-pyrazole-3-carboxylate.
Chemical Property Profile of Ethyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate
Property Insights of Ethyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate. With a topological polar surface area (TPSA) of 58.6 Ų, Ethyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate has 1 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 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate?
The CAS number of Ethyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate is 40711-34-0.
What is the molecular formula of Ethyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate?
The molecular formula of Ethyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate is C7H10N2O3.
What is the molecular weight of Ethyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate?
The molecular weight of Ethyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate is 170.07 g/mol.
Where can I buy Ethyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate?
You can request a quote for Ethyl 2-methyl-5-oxo-2,5-dihydro-1H-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 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.