ethane;2-[2-(5-propan-2-ylpyrazol-1-yl)ethoxy]ethanol

C12H24N2O2 — CID 168904377

IUPACethane;2-[2-(5-propan-2-ylpyrazol-1-yl)ethoxy]ethanol
SMILESCC.CC(C)c1ccnn1CCOCCO
InChIInChI=1S/C10H18N2O2.C2H6/c1-9(2)10-3-4-11-12(10)5-7-14-8-6-13;1-2/h3-4,9,13H,5-8H2,1-2H3;1-2H3
InChIKeyNJQKFSUBLMKXKA-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.04
Rot. Bonds6

About ethane;2-[2-(5-propan-2-ylpyrazol-1-yl)ethoxy]ethanol

ethane;2-[2-(5-propan-2-ylpyrazol-1-yl)ethoxy]ethanol (PubChem CID 168904377) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethane;2-[2-(5-propan-2-ylpyrazol-1-yl)ethoxy]ethanol.

Molecular Properties

Compound Nameethane;2-[2-(5-propan-2-ylpyrazol-1-yl)ethoxy]ethanol
PubChem CID168904377
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethane;2-[2-(5-propan-2-ylpyrazol-1-yl)ethoxy]ethanol
SMILESCC.CC(C)c1ccnn1CCOCCO
InChIInChI=1S/C10H18N2O2.C2H6/c1-9(2)10-3-4-11-12(10)5-7-14-8-6-13;1-2/h3-4,9,13H,5-8H2,1-2H3;1-2H3
InChIKeyNJQKFSUBLMKXKA-UHFFFAOYSA-N
XLogP2.04
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-(5-propan-2-ylpyrazol-1-yl)ethoxy]ethanol?
The IUPAC name of ethane;2-[2-(5-propan-2-ylpyrazol-1-yl)ethoxy]ethanol (CID 168904377) is ethane;2-[2-(5-propan-2-ylpyrazol-1-yl)ethoxy]ethanol.
What is the SMILES notation for ethane;2-[2-(5-propan-2-ylpyrazol-1-yl)ethoxy]ethanol?
The canonical SMILES for ethane;2-[2-(5-propan-2-ylpyrazol-1-yl)ethoxy]ethanol is CC.CC(C)c1ccnn1CCOCCO.
What is the InChIKey of ethane;2-[2-(5-propan-2-ylpyrazol-1-yl)ethoxy]ethanol?
The InChIKey is NJQKFSUBLMKXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2.C2H6/c1-9(2)10-3-4-11-12(10)5-7-14-8-6-13;1-2/h3-4,9,13H,5-8H2,1-2H3;1-2H3.
What are the key properties of ethane;2-[2-(5-propan-2-ylpyrazol-1-yl)ethoxy]ethanol?
ethane;2-[2-(5-propan-2-ylpyrazol-1-yl)ethoxy]ethanol has a molecular weight of 228.34 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-(5-propan-2-ylpyrazol-1-yl)ethoxy]ethanol is sourced from PubChem (CID 168904377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).