4-Ethyl-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one
TL;DR: 4-Ethyl-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one (CAS 22717-41-5) is a chemical compound with molecular formula C12H14N2O and molecular weight 202.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-5-methyl-2-phenyl-1H-pyrazol-3-one
Also Known As: 4-Ethyl-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one, 4-ethyl-5-methyl-2-phenyl-1H-pyrazol-3-one, 4-ethyl-3-methyl-1-phenylpyrazol-5-ol, 4-ethyl-3-methyl-1-phenylpyrazol-5-one, 4-ethyl-5-methyl-2-phenyl-pyrazol-3-one
| Molecular Formula | C12H14N2O |
|---|---|
| Molecular Weight | 202.11 g/mol |
| LogP | 2.03642 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.11061 |
| Heavy Atoms | 15 |
| Complexity | 508.16354 |
Chemical Identifiers
| CAS Number | 22717-41-5 |
|---|---|
| SMILES | CCC1=C(NN(C1=O)C2=CC=CC=C2)C |
Product Overview
4-Ethyl-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one (CAS 22717-41-5), with molecular formula C12H14N2O and molecular weight 202.11 g/mol. IUPAC: 4-ethyl-5-methyl-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of 4-Ethyl-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one
Property Insights of 4-Ethyl-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one
The XLogP value of 2.03642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one. With a topological polar surface area (TPSA) of 37.79 Ų, 4-Ethyl-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethyl-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one has 1 hydrogen bond donor(s) and 1 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 4-Ethyl-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one?
The CAS number of 4-Ethyl-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one is 22717-41-5.
What is the molecular formula of 4-Ethyl-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one?
The molecular formula of 4-Ethyl-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one is C12H14N2O.
What is the molecular weight of 4-Ethyl-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one?
The molecular weight of 4-Ethyl-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one is 202.11 g/mol.
Where can I buy 4-Ethyl-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one?
You can request a quote for 4-Ethyl-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethyl-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.