1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpyrazole

C13H14Cl2N2O — CID 654750

IUPAC1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(CCOc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H14Cl2N2O/c1-9-7-10(2)17(16-9)5-6-18-13-4-3-11(14)8-12(13)15/h3-4,7-8H,5-6H2,1-2H3
InChIKeyKWRADACCGARVNI-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.89
Rot. Bonds4

About 1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpyrazole

1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpyrazole (PubChem CID 654750) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpyrazole
PubChem CID654750
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC Name1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(CCOc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H14Cl2N2O/c1-9-7-10(2)17(16-9)5-6-18-13-4-3-11(14)8-12(13)15/h3-4,7-8H,5-6H2,1-2H3
InChIKeyKWRADACCGARVNI-UHFFFAOYSA-N
XLogP3.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazole, 1-(2,4-dichlorophenoxyacetyl)-3,5-dimethyl-
CID 83258
1-[2-(2-Chlorophenoxy)ethyl]-3,5-dimethyl-4-nitropyrazole
CID 4793944
2-[4-(3-Chlorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 9900767
2-[4-(3,5-Dichlorophenoxy)-3,5-dimethyl-pyrazol-1-yl]ethanol
CID 9944171
2-[4-(3,5-Dichlorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 9967239
1-(2,4-Dichloro-phenoxy)-3-(3,5-dimethyl-pyrazol-1-yl)-propan-2-ol
CID 3152400
N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide
CID 4790151
2-[4-(3,5-Dichlorophenoxy)-5-methyl-3-propan-2-ylpyrazol-1-yl]ethanol
CID 52945857
1-(4-Chlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 2876017
2-[4-(2,5-Dichlorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 9880521
2-[4-(2,6-Dichlorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 9902000
2-[4-(2,3-Dichlorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 9945346

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpyrazole (CID 654750) is 1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpyrazole is Cc1cc(C)n(CCOc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpyrazole?
The InChIKey is KWRADACCGARVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O/c1-9-7-10(2)17(16-9)5-6-18-13-4-3-11(14)8-12(13)15/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpyrazole?
1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpyrazole has a molecular weight of 285.17 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 654750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).