methyl 5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylate
TL;DR: methyl 5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylate (CAS 16135-26-5) 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 3-oxo-2-phenyl-1H-pyrazole-5-carboxylate
Also Known As: methyl 5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylate, methyl 5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate, methyl 3-oxo-2-phenyl-1H-pyrazole-5-carboxylate, ACN-P000737, ACN-P000738
| Molecular Formula | C11H10N2O3 |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 0.9522 |
| Topological Polar Surface Area | 64.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.06914 |
| Heavy Atoms | 16 |
| Complexity | 554.1087 |
Chemical Identifiers
| CAS Number | 16135-26-5 |
|---|---|
| SMILES | COC(=O)C1=CC(=O)N(N1)C2=CC=CC=C2 |
Product Overview
methyl 5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylate (CAS 16135-26-5), with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol. IUPAC: methyl 3-oxo-2-phenyl-1H-pyrazole-5-carboxylate.
Chemical Property Profile of methyl 5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylate
Property Insights of methyl 5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylate
The XLogP value of 0.9522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylate. The TPSA of 64.09 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylate. Following Lipinski's Rule of Five, methyl 5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylate has 1 hydrogen bond donor(s) and 3 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-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylate?
The CAS number of methyl 5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylate is 16135-26-5.
What is the molecular formula of methyl 5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylate?
The molecular formula of methyl 5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylate is C11H10N2O3.
What is the molecular weight of methyl 5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylate?
The molecular weight of methyl 5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylate is 218.07 g/mol.
Where can I buy methyl 5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylate?
You can request a quote for methyl 5-oxo-1-phenyl-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 5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.