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

C16H20Cl2N2O2 — CID 3013456

IUPAC2-[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]ethanol
SMILESCCc1c(CCO)nn(C(C)C)c1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H20Cl2N2O2/c1-4-14-15(5-6-21)19-20(10(2)3)16(14)22-13-8-11(17)7-12(18)9-13/h7-10,21H,4-6H2,1-3H3
InChIKeyKWRVBGPEENBQQE-UHFFFAOYSA-N
MW343.25 g/mol
LogP4.66
Rot. Bonds6

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

2-[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]ethanol (PubChem CID 3013456) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is 2-[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]ethanol
PubChem CID3013456
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC Name2-[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]ethanol
SMILESCCc1c(CCO)nn(C(C)C)c1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H20Cl2N2O2/c1-4-14-15(5-6-21)19-20(10(2)3)16(14)22-13-8-11(17)7-12(18)9-13/h7-10,21H,4-6H2,1-3H3
InChIKeyKWRVBGPEENBQQE-UHFFFAOYSA-N
XLogP4.66
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]ethanol?
The IUPAC name of 2-[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]ethanol (CID 3013456) is 2-[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]ethanol?
The canonical SMILES for 2-[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]ethanol is CCc1c(CCO)nn(C(C)C)c1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]ethanol?
The InChIKey is KWRVBGPEENBQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2/c1-4-14-15(5-6-21)19-20(10(2)3)16(14)22-13-8-11(17)7-12(18)9-13/h7-10,21H,4-6H2,1-3H3.
What are the key properties of 2-[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]ethanol?
2-[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]ethanol has a molecular weight of 343.25 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]ethanol is sourced from PubChem (CID 3013456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).