5-Methyl-2-(3-phenylpropyl)-2,3-dihydro-1H-pyrazol-3-one
TL;DR: 5-Methyl-2-(3-phenylpropyl)-2,3-dihydro-1H-pyrazol-3-one (CAS 85464-79-5) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-(3-phenylpropyl)-1H-pyrazol-3-one
Also Known As: starbld0014553, 5-Methyl-2-(3-phenylpropyl)-2,3-dihydro-1H-pyrazol-3-one, 5-methyl-2-(3-phenylpropyl)-1H-pyrazol-3-one, 5-Methyl-2-(3-phenylpropyl)-1,2-dihydro-3H-pyrazol-3-one, AE-018/31865054
| Molecular Formula | C13H16N2O |
|---|---|
| Molecular Weight | 216.13 g/mol |
| LogP | 2.11762 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.12627 |
| Heavy Atoms | 16 |
| Complexity | 496.15118 |
Chemical Identifiers
| CAS Number | 85464-79-5 |
|---|---|
| SMILES | CC1=CC(=O)N(N1)CCCC2=CC=CC=C2 |
Product Overview
5-Methyl-2-(3-phenylpropyl)-2,3-dihydro-1H-pyrazol-3-one (CAS 85464-79-5), with molecular formula C13H16N2O and molecular weight 216.13 g/mol. IUPAC: 5-methyl-2-(3-phenylpropyl)-1H-pyrazol-3-one.
Chemical Property Profile of 5-Methyl-2-(3-phenylpropyl)-2,3-dihydro-1H-pyrazol-3-one
Property Insights of 5-Methyl-2-(3-phenylpropyl)-2,3-dihydro-1H-pyrazol-3-one
The XLogP value of 2.11762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2-(3-phenylpropyl)-2,3-dihydro-1H-pyrazol-3-one. With a topological polar surface area (TPSA) of 37.79 Ų, 5-Methyl-2-(3-phenylpropyl)-2,3-dihydro-1H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-(3-phenylpropyl)-2,3-dihydro-1H-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 5-Methyl-2-(3-phenylpropyl)-2,3-dihydro-1H-pyrazol-3-one?
The CAS number of 5-Methyl-2-(3-phenylpropyl)-2,3-dihydro-1H-pyrazol-3-one is 85464-79-5.
What is the molecular formula of 5-Methyl-2-(3-phenylpropyl)-2,3-dihydro-1H-pyrazol-3-one?
The molecular formula of 5-Methyl-2-(3-phenylpropyl)-2,3-dihydro-1H-pyrazol-3-one is C13H16N2O.
What is the molecular weight of 5-Methyl-2-(3-phenylpropyl)-2,3-dihydro-1H-pyrazol-3-one?
The molecular weight of 5-Methyl-2-(3-phenylpropyl)-2,3-dihydro-1H-pyrazol-3-one is 216.13 g/mol.
Where can I buy 5-Methyl-2-(3-phenylpropyl)-2,3-dihydro-1H-pyrazol-3-one?
You can request a quote for 5-Methyl-2-(3-phenylpropyl)-2,3-dihydro-1H-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 5-Methyl-2-(3-phenylpropyl)-2,3-dihydro-1H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-(3-phenylpropyl)-2,3-dihydro-1H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.