5-[2-(2,5-dichlorophenoxy)ethyl]-1-methylpyrazole

C12H12Cl2N2O — CID 103016138

IUPAC5-[2-(2,5-dichlorophenoxy)ethyl]-1-methylpyrazole
SMILESCn1nccc1CCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H12Cl2N2O/c1-16-10(4-6-15-16)5-7-17-12-8-9(13)2-3-11(12)14/h2-4,6,8H,5,7H2,1H3
InChIKeyCGIPKUSJGJFOSR-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.35
Rot. Bonds4

About 5-[2-(2,5-dichlorophenoxy)ethyl]-1-methylpyrazole

5-[2-(2,5-dichlorophenoxy)ethyl]-1-methylpyrazole (PubChem CID 103016138) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is 5-[2-(2,5-dichlorophenoxy)ethyl]-1-methylpyrazole.

Molecular Properties

Compound Name5-[2-(2,5-dichlorophenoxy)ethyl]-1-methylpyrazole
PubChem CID103016138
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name5-[2-(2,5-dichlorophenoxy)ethyl]-1-methylpyrazole
SMILESCn1nccc1CCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H12Cl2N2O/c1-16-10(4-6-15-16)5-7-17-12-8-9(13)2-3-11(12)14/h2-4,6,8H,5,7H2,1H3
InChIKeyCGIPKUSJGJFOSR-UHFFFAOYSA-N
XLogP3.35
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[2-(2,5-dichlorophenoxy)ethyl]-1-methylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(5-bromo-2-chlorophenoxy)ethyl]-1-methylpyrazole
CID 103002806
N-[[5-chloro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]ethanamine
CID 102999589
5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole
CID 103016135
1-[2-chloro-6-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine
CID 102999897
1-[3-chloro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylethanamine
CID 102999983
2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
CID 102999319
5-[2-[5-(3-chloroprop-1-ynyl)-2-fluorophenoxy]ethyl]-1-methylpyrazole
CID 103012928
2-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 103013023
[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]boronic acid
CID 103003887
4-bromo-3-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
CID 103009202
5-[2-[2-(chloromethyl)-4-methoxyphenoxy]ethyl]-1-methylpyrazole
CID 103003740
2-[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 107700474

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-dichlorophenoxy)ethyl]-1-methylpyrazole?
The IUPAC name of 5-[2-(2,5-dichlorophenoxy)ethyl]-1-methylpyrazole (CID 103016138) is 5-[2-(2,5-dichlorophenoxy)ethyl]-1-methylpyrazole.
What is the SMILES notation for 5-[2-(2,5-dichlorophenoxy)ethyl]-1-methylpyrazole?
The canonical SMILES for 5-[2-(2,5-dichlorophenoxy)ethyl]-1-methylpyrazole is Cn1nccc1CCOc1cc(Cl)ccc1Cl.
What is the InChIKey of 5-[2-(2,5-dichlorophenoxy)ethyl]-1-methylpyrazole?
The InChIKey is CGIPKUSJGJFOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c1-16-10(4-6-15-16)5-7-17-12-8-9(13)2-3-11(12)14/h2-4,6,8H,5,7H2,1H3.
What are the key properties of 5-[2-(2,5-dichlorophenoxy)ethyl]-1-methylpyrazole?
5-[2-(2,5-dichlorophenoxy)ethyl]-1-methylpyrazole has a molecular weight of 271.15 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,5-dichlorophenoxy)ethyl]-1-methylpyrazole is sourced from PubChem (CID 103016138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).