2-(5-amino-3-propan-2-ylpyrazol-1-yl)ethanol

C8H15N3O — CID 43348896

IUPAC2-(5-amino-3-propan-2-ylpyrazol-1-yl)ethanol
SMILESCC(C)c1cc(N)n(CCO)n1
InChIInChI=1S/C8H15N3O/c1-6(2)7-5-8(9)11(10-7)3-4-12/h5-6,12H,3-4,9H2,1-2H3
InChIKeyVDRDVTUHFZGIDW-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.58
Rot. Bonds3

About 2-(5-amino-3-propan-2-ylpyrazol-1-yl)ethanol

2-(5-amino-3-propan-2-ylpyrazol-1-yl)ethanol (PubChem CID 43348896) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-(5-amino-3-propan-2-ylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-amino-3-propan-2-ylpyrazol-1-yl)ethanol
PubChem CID43348896
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-(5-amino-3-propan-2-ylpyrazol-1-yl)ethanol
SMILESCC(C)c1cc(N)n(CCO)n1
InChIInChI=1S/C8H15N3O/c1-6(2)7-5-8(9)11(10-7)3-4-12/h5-6,12H,3-4,9H2,1-2H3
InChIKeyVDRDVTUHFZGIDW-UHFFFAOYSA-N
XLogP0.58
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-propan-2-ylpyrazol-1-yl)ethanol?
The IUPAC name of 2-(5-amino-3-propan-2-ylpyrazol-1-yl)ethanol (CID 43348896) is 2-(5-amino-3-propan-2-ylpyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(5-amino-3-propan-2-ylpyrazol-1-yl)ethanol?
The canonical SMILES for 2-(5-amino-3-propan-2-ylpyrazol-1-yl)ethanol is CC(C)c1cc(N)n(CCO)n1.
What is the InChIKey of 2-(5-amino-3-propan-2-ylpyrazol-1-yl)ethanol?
The InChIKey is VDRDVTUHFZGIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(2)7-5-8(9)11(10-7)3-4-12/h5-6,12H,3-4,9H2,1-2H3.
What are the key properties of 2-(5-amino-3-propan-2-ylpyrazol-1-yl)ethanol?
2-(5-amino-3-propan-2-ylpyrazol-1-yl)ethanol has a molecular weight of 169.23 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-propan-2-ylpyrazol-1-yl)ethanol is sourced from PubChem (CID 43348896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).