2-(3,4-dichlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one
TL;DR: 2-(3,4-dichlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one (CAS 13124-17-9) is a chemical compound with molecular formula C10H8Cl2N2O and molecular weight 242.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dichlorophenyl)-5-methyl-4H-pyrazol-3-one
Also Known As: 1-(3,4-dichlorophenyl)-3-methyl-1H-pyrazol-5(4H)-one, 2-(3,4-Dichlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one, 2-(3,4-dichlorophenyl)-5-methyl-4H-pyrazol-3-one, 1-(3,4-dichlorophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one, 3H-Pyrazol-3-one, 2-(3,4-dichlorophenyl)-2,4-dihydro-5-methyl-
| Molecular Formula | C10H8Cl2N2O |
|---|---|
| Molecular Weight | 242.00 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 | 242.00137 |
| Heavy Atoms | 15 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 13124-17-9 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C2=CC(=C(C=C2)Cl)Cl |
| InChIKey | NPLZMVKJNPOHRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3,4-dichlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one (CAS 13124-17-9), with molecular formula C10H8Cl2N2O and molecular weight 242.00 g/mol. IUPAC: 2-(3,4-dichlorophenyl)-5-methyl-4H-pyrazol-3-one.
Chemical Property Profile of 2-(3,4-dichlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one
Property Insights of 2-(3,4-dichlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-dichlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one. With a topological polar surface area (TPSA) of 32.7 Ų, 2-(3,4-dichlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4-dichlorophenyl)-2,4-dihydro-5-methyl-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-(3,4-dichlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one?
The CAS number of 2-(3,4-dichlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one is 13124-17-9.
What is the molecular formula of 2-(3,4-dichlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one?
The molecular formula of 2-(3,4-dichlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one is C10H8Cl2N2O.
What is the molecular weight of 2-(3,4-dichlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one?
The molecular weight of 2-(3,4-dichlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one is 242.00 g/mol.
Where can I buy 2-(3,4-dichlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one?
You can request a quote for 2-(3,4-dichlorophenyl)-2,4-dihydro-5-methyl-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-(3,4-dichlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-dichlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.