methyl 5-oxo-3-phenyl-4H-pyrazole-1-carboxylate
TL;DR: methyl 5-oxo-3-phenyl-4H-pyrazole-1-carboxylate (CAS 712288-14-7) is a chemical compound with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-oxo-3-phenyl-4H-pyrazole-1-carboxylate
Also Known As: Methyl 5-oxo-3-phenyl-4H-pyrazole-1-carboxylate, methyl 5-oxo-3-phenyl-4,5-dihydro-1h-pyrazole-1-carboxylate
| Molecular Formula | C11H10N2O3 |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 1.3894 |
| Topological Polar Surface Area | 58.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.06914 |
| Heavy Atoms | 16 |
| Complexity | 453.55728 |
Chemical Identifiers
| CAS Number | 712288-14-7 |
|---|---|
| SMILES | COC(=O)N1C(=O)CC(=N1)C2=CC=CC=C2 |
Product Overview
methyl 5-oxo-3-phenyl-4H-pyrazole-1-carboxylate (CAS 712288-14-7), with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol. IUPAC: methyl 5-oxo-3-phenyl-4H-pyrazole-1-carboxylate.
Chemical Property Profile of methyl 5-oxo-3-phenyl-4H-pyrazole-1-carboxylate
Property Insights of methyl 5-oxo-3-phenyl-4H-pyrazole-1-carboxylate
The XLogP value of 1.3894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-oxo-3-phenyl-4H-pyrazole-1-carboxylate. With a topological polar surface area (TPSA) of 58.97 Ų, methyl 5-oxo-3-phenyl-4H-pyrazole-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 5-oxo-3-phenyl-4H-pyrazole-1-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 methyl 5-oxo-3-phenyl-4H-pyrazole-1-carboxylate?
The CAS number of methyl 5-oxo-3-phenyl-4H-pyrazole-1-carboxylate is 712288-14-7.
What is the molecular formula of methyl 5-oxo-3-phenyl-4H-pyrazole-1-carboxylate?
The molecular formula of methyl 5-oxo-3-phenyl-4H-pyrazole-1-carboxylate is C11H10N2O3.
What is the molecular weight of methyl 5-oxo-3-phenyl-4H-pyrazole-1-carboxylate?
The molecular weight of methyl 5-oxo-3-phenyl-4H-pyrazole-1-carboxylate is 218.07 g/mol.
Where can I buy methyl 5-oxo-3-phenyl-4H-pyrazole-1-carboxylate?
You can request a quote for methyl 5-oxo-3-phenyl-4H-pyrazole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-oxo-3-phenyl-4H-pyrazole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-oxo-3-phenyl-4H-pyrazole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.