Methyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate
TL;DR: Methyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate (CAS 52867-42-2) is a chemical compound with molecular formula C6H8N2O3 and molecular weight 156.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-5-oxo-1H-pyrazole-3-carboxylate
Also Known As: Methyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate, Methyl 3-hydroxy-1-methylpyrazole-5-carboxylate, methyl 3-hydroxy-1-methyl-1H-pyrazole-5-carboxylate, methyl 2-methyl-5-oxo-1H-pyrazole-3-carboxylate, ACN-S001975
| Molecular Formula | C6H8N2O3 |
|---|---|
| Molecular Weight | 156.05 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.0535 |
| Heavy Atoms | 11 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 52867-42-2 |
|---|---|
| SMILES | CN1C(=CC(=O)N1)C(=O)OC |
| InChIKey | IYAQFZAPKKWPNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate (CAS 52867-42-2), with molecular formula C6H8N2O3 and molecular weight 156.05 g/mol. IUPAC: methyl 2-methyl-5-oxo-1H-pyrazole-3-carboxylate.
Chemical Property Profile of Methyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate
Property Insights of Methyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate
The XLogP value of -0.1 indicates that Methyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.6 Ų, Methyl 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, Methyl 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 Methyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate?
The CAS number of Methyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate is 52867-42-2.
What is the molecular formula of Methyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate?
The molecular formula of Methyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate is C6H8N2O3.
What is the molecular weight of Methyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate?
The molecular weight of Methyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate is 156.05 g/mol.
Where can I buy Methyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate?
You can request a quote for Methyl 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 Methyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 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.