2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one
TL;DR: 2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one (CAS 86-92-0) is a chemical compound with molecular formula C11H12N2O and molecular weight 188.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one
Also Known As: 3-Methyl-1-p-tolyl-5-pyrazolone, Tolylmethylpyrazolone, 2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one, 3-Methyl-1-(p-tolyl)-1H-pyrazol-5(4H)-one, 4-Tolylmethylpyrazolone
| Molecular Formula | C11H12N2O |
|---|---|
| Molecular Weight | 188.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.09496 |
| Heavy Atoms | 14 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 86-92-0 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C2=CC=C(C=C2)C |
| InChIKey | IOQOLGUXWSBWHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one (CAS 86-92-0), with molecular formula C11H12N2O and molecular weight 188.09 g/mol. IUPAC: 5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one.
Chemical Property Profile of 2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one
Property Insights of 2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one. With a topological polar surface area (TPSA) of 32.7 Ų, 2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one has 0 hydrogen bond donor(s) and 2 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 2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one?
The CAS number of 2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one is 86-92-0.
What is the molecular formula of 2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one?
The molecular formula of 2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one is C11H12N2O.
What is the molecular weight of 2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one?
The molecular weight of 2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one is 188.09 g/mol.
Where can I buy 2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one?
You can request a quote for 2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-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 2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.