2-benzyl-5-(2-hydroxypropan-2-yl)-1H-pyrazol-3-one
TL;DR: 2-benzyl-5-(2-hydroxypropan-2-yl)-1H-pyrazol-3-one (CAS 70498-87-2) is a chemical compound with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-5-(2-hydroxypropan-2-yl)-1H-pyrazol-3-one
Also Known As: 2-benzyl-5-(2-hydroxypropan-2-yl)-1H-pyrazol-3-one, 2-Benzyl-5-(2-hydroxypropan-2-yl)-1,2-dihydro-3H-pyrazol-3-one, RefChem:256573
| Molecular Formula | C13H16N2O2 |
|---|---|
| Molecular Weight | 232.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.12119 |
| Heavy Atoms | 17 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 70498-87-2 |
|---|---|
| SMILES | CC(C)(C1=CC(=O)N(N1)CC2=CC=CC=C2)O |
| InChIKey | PLJZNTAPTUBUML-UHFFFAOYSA-N |
Product Overview
2-benzyl-5-(2-hydroxypropan-2-yl)-1H-pyrazol-3-one (CAS 70498-87-2), with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol. IUPAC: 2-benzyl-5-(2-hydroxypropan-2-yl)-1H-pyrazol-3-one.
Chemical Property Profile of 2-benzyl-5-(2-hydroxypropan-2-yl)-1H-pyrazol-3-one
Property Insights of 2-benzyl-5-(2-hydroxypropan-2-yl)-1H-pyrazol-3-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-benzyl-5-(2-hydroxypropan-2-yl)-1H-pyrazol-3-one. With a topological polar surface area (TPSA) of 52.6 Ų, 2-benzyl-5-(2-hydroxypropan-2-yl)-1H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-benzyl-5-(2-hydroxypropan-2-yl)-1H-pyrazol-3-one has 2 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 2-benzyl-5-(2-hydroxypropan-2-yl)-1H-pyrazol-3-one?
The CAS number of 2-benzyl-5-(2-hydroxypropan-2-yl)-1H-pyrazol-3-one is 70498-87-2.
What is the molecular formula of 2-benzyl-5-(2-hydroxypropan-2-yl)-1H-pyrazol-3-one?
The molecular formula of 2-benzyl-5-(2-hydroxypropan-2-yl)-1H-pyrazol-3-one is C13H16N2O2.
What is the molecular weight of 2-benzyl-5-(2-hydroxypropan-2-yl)-1H-pyrazol-3-one?
The molecular weight of 2-benzyl-5-(2-hydroxypropan-2-yl)-1H-pyrazol-3-one is 232.12 g/mol.
Where can I buy 2-benzyl-5-(2-hydroxypropan-2-yl)-1H-pyrazol-3-one?
You can request a quote for 2-benzyl-5-(2-hydroxypropan-2-yl)-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 2-benzyl-5-(2-hydroxypropan-2-yl)-1H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-benzyl-5-(2-hydroxypropan-2-yl)-1H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.