![1-[(2-chlorophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one structure](/static/products/5685/568555-62-4.webp)
1-[(2-chlorophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one
TL;DR: 1-[(2-chlorophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one (CAS 568555-62-4) is a chemical compound with molecular formula C11H11ClN2O and molecular weight 222.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methyl]-5-methyl-4H-pyrazol-3-one
Also Known As: 1-[(2-chlorophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one, 2-(2-Chloro-benzyl)-5-methyl-2,4-dihydro-pyrazol-3-one, 2-[(2-chlorophenyl)methyl]-5-methyl-4H-pyrazol-3-one, 1-(2-Chlorobenzyl)-3-methyl-1H-pyrazol-5(4H)-one, 1-((2-chlorophenyl)methyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one
| Molecular Formula | C11H11ClN2O |
|---|---|
| Molecular Weight | 222.06 g/mol |
| LogP | 2.4482 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.05598 |
| Heavy Atoms | 15 |
| Complexity | 428.351 |
Chemical Identifiers
| CAS Number | 568555-62-4 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)CC2=CC=CC=C2Cl |
Product Overview
1-[(2-chlorophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one (CAS 568555-62-4), with molecular formula C11H11ClN2O and molecular weight 222.06 g/mol. IUPAC: 2-[(2-chlorophenyl)methyl]-5-methyl-4H-pyrazol-3-one.
Chemical Property Profile of 1-[(2-chlorophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one
Property Insights of 1-[(2-chlorophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one
The XLogP value of 2.4482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2-chlorophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one. With a topological polar surface area (TPSA) of 32.67 Ų, 1-[(2-chlorophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(2-chlorophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-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 1-[(2-chlorophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one?
The CAS number of 1-[(2-chlorophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one is 568555-62-4.
What is the molecular formula of 1-[(2-chlorophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one?
The molecular formula of 1-[(2-chlorophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one is C11H11ClN2O.
What is the molecular weight of 1-[(2-chlorophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one?
The molecular weight of 1-[(2-chlorophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one is 222.06 g/mol.
Where can I buy 1-[(2-chlorophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one?
You can request a quote for 1-[(2-chlorophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(2-chlorophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-chlorophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.