5-methyl-2-(1-naphthyl)-4H-pyrazol-3-one
TL;DR: 5-methyl-2-(1-naphthyl)-4H-pyrazol-3-one (CAS 107430-39-7) is a chemical compound with molecular formula C14H12N2O and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-naphthalen-1-yl-4H-pyrazol-3-one
Also Known As: 3-Methyl-1-(1-naphthyl)-5-pyrazolone, BAS 01132391, 5-methyl-2-(1-naphthyl)-4H-pyrazol-3-one, 5-methyl-2-naphthalen-1-yl-4H-pyrazol-3-one, 3-methyl-1-(naphthalen-1-yl)-1h-pyrazol-5(4h)-one
| Molecular Formula | C14H12N2O |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.09496 |
| Heavy Atoms | 17 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 107430-39-7 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C2=CC=CC3=CC=CC=C32 |
| InChIKey | BTUGYRPOCOUJAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-methyl-2-(1-naphthyl)-4H-pyrazol-3-one (CAS 107430-39-7), with molecular formula C14H12N2O and molecular weight 224.09 g/mol. IUPAC: 5-methyl-2-naphthalen-1-yl-4H-pyrazol-3-one.
Chemical Property Profile of 5-methyl-2-(1-naphthyl)-4H-pyrazol-3-one
Property Insights of 5-methyl-2-(1-naphthyl)-4H-pyrazol-3-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-2-(1-naphthyl)-4H-pyrazol-3-one. With a topological polar surface area (TPSA) of 32.7 Ų, 5-methyl-2-(1-naphthyl)-4H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-methyl-2-(1-naphthyl)-4H-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 5-methyl-2-(1-naphthyl)-4H-pyrazol-3-one?
The CAS number of 5-methyl-2-(1-naphthyl)-4H-pyrazol-3-one is 107430-39-7.
What is the molecular formula of 5-methyl-2-(1-naphthyl)-4H-pyrazol-3-one?
The molecular formula of 5-methyl-2-(1-naphthyl)-4H-pyrazol-3-one is C14H12N2O.
What is the molecular weight of 5-methyl-2-(1-naphthyl)-4H-pyrazol-3-one?
The molecular weight of 5-methyl-2-(1-naphthyl)-4H-pyrazol-3-one is 224.09 g/mol.
Where can I buy 5-methyl-2-(1-naphthyl)-4H-pyrazol-3-one?
You can request a quote for 5-methyl-2-(1-naphthyl)-4H-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-(1-naphthyl)-4H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-2-(1-naphthyl)-4H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.