2-[4-(3,5-dichlorophenoxy)-5-methyl-3-propan-2-ylpyrazol-1-yl]ethanol

C15H18Cl2N2O2 — CID 52945857

IUPAC2-[4-(3,5-dichlorophenoxy)-5-methyl-3-propan-2-ylpyrazol-1-yl]ethanol
SMILESCc1c(Oc2cc(Cl)cc(Cl)c2)c(C(C)C)nn1CCO
InChIInChI=1S/C15H18Cl2N2O2/c1-9(2)14-15(10(3)19(18-14)4-5-20)21-13-7-11(16)6-12(17)8-13/h6-9,20H,4-5H2,1-3H3
InChIKeyDGACOYQWHAUHJF-UHFFFAOYSA-N
MW329.23 g/mol
LogP4.41
Rot. Bonds5

About 2-[4-(3,5-dichlorophenoxy)-5-methyl-3-propan-2-ylpyrazol-1-yl]ethanol

2-[4-(3,5-dichlorophenoxy)-5-methyl-3-propan-2-ylpyrazol-1-yl]ethanol (PubChem CID 52945857) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is 2-[4-(3,5-dichlorophenoxy)-5-methyl-3-propan-2-ylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3,5-dichlorophenoxy)-5-methyl-3-propan-2-ylpyrazol-1-yl]ethanol
PubChem CID52945857
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name2-[4-(3,5-dichlorophenoxy)-5-methyl-3-propan-2-ylpyrazol-1-yl]ethanol
SMILESCc1c(Oc2cc(Cl)cc(Cl)c2)c(C(C)C)nn1CCO
InChIInChI=1S/C15H18Cl2N2O2/c1-9(2)14-15(10(3)19(18-14)4-5-20)21-13-7-11(16)6-12(17)8-13/h6-9,20H,4-5H2,1-3H3
InChIKeyDGACOYQWHAUHJF-UHFFFAOYSA-N
XLogP4.41
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dichlorophenoxy)-5-methyl-3-propan-2-ylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-(3,5-dichlorophenoxy)-5-methyl-3-propan-2-ylpyrazol-1-yl]ethanol (CID 52945857) is 2-[4-(3,5-dichlorophenoxy)-5-methyl-3-propan-2-ylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3,5-dichlorophenoxy)-5-methyl-3-propan-2-ylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(3,5-dichlorophenoxy)-5-methyl-3-propan-2-ylpyrazol-1-yl]ethanol is Cc1c(Oc2cc(Cl)cc(Cl)c2)c(C(C)C)nn1CCO.
What is the InChIKey of 2-[4-(3,5-dichlorophenoxy)-5-methyl-3-propan-2-ylpyrazol-1-yl]ethanol?
The InChIKey is DGACOYQWHAUHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-9(2)14-15(10(3)19(18-14)4-5-20)21-13-7-11(16)6-12(17)8-13/h6-9,20H,4-5H2,1-3H3.
What are the key properties of 2-[4-(3,5-dichlorophenoxy)-5-methyl-3-propan-2-ylpyrazol-1-yl]ethanol?
2-[4-(3,5-dichlorophenoxy)-5-methyl-3-propan-2-ylpyrazol-1-yl]ethanol has a molecular weight of 329.23 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dichlorophenoxy)-5-methyl-3-propan-2-ylpyrazol-1-yl]ethanol is sourced from PubChem (CID 52945857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).