2-[1,4-di(propan-2-yl)pyrazol-3-yl]ethanol

C11H20N2O — CID 146648196

IUPAC2-[1,4-di(propan-2-yl)pyrazol-3-yl]ethanol
SMILESCC(C)c1cn(C(C)C)nc1CCO
InChIInChI=1S/C11H20N2O/c1-8(2)10-7-13(9(3)4)12-11(10)5-6-14/h7-9,14H,5-6H2,1-4H3
InChIKeyYVISHXUXUJLSLQ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.12
Rot. Bonds4

About 2-[1,4-di(propan-2-yl)pyrazol-3-yl]ethanol

2-[1,4-di(propan-2-yl)pyrazol-3-yl]ethanol (PubChem CID 146648196) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[1,4-di(propan-2-yl)pyrazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[1,4-di(propan-2-yl)pyrazol-3-yl]ethanol
PubChem CID146648196
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-[1,4-di(propan-2-yl)pyrazol-3-yl]ethanol
SMILESCC(C)c1cn(C(C)C)nc1CCO
InChIInChI=1S/C11H20N2O/c1-8(2)10-7-13(9(3)4)12-11(10)5-6-14/h7-9,14H,5-6H2,1-4H3
InChIKeyYVISHXUXUJLSLQ-UHFFFAOYSA-N
XLogP2.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1,4-di(propan-2-yl)pyrazol-3-yl]ethanol?
The IUPAC name of 2-[1,4-di(propan-2-yl)pyrazol-3-yl]ethanol (CID 146648196) is 2-[1,4-di(propan-2-yl)pyrazol-3-yl]ethanol.
What is the SMILES notation for 2-[1,4-di(propan-2-yl)pyrazol-3-yl]ethanol?
The canonical SMILES for 2-[1,4-di(propan-2-yl)pyrazol-3-yl]ethanol is CC(C)c1cn(C(C)C)nc1CCO.
What is the InChIKey of 2-[1,4-di(propan-2-yl)pyrazol-3-yl]ethanol?
The InChIKey is YVISHXUXUJLSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(2)10-7-13(9(3)4)12-11(10)5-6-14/h7-9,14H,5-6H2,1-4H3.
What are the key properties of 2-[1,4-di(propan-2-yl)pyrazol-3-yl]ethanol?
2-[1,4-di(propan-2-yl)pyrazol-3-yl]ethanol has a molecular weight of 196.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,4-di(propan-2-yl)pyrazol-3-yl]ethanol is sourced from PubChem (CID 146648196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).