3-pyrazolidin-4-ylpropan-1-ol

C6H14N2O — CID 89209456

IUPAC3-pyrazolidin-4-ylpropan-1-ol
SMILESOCCCC1CNNC1
InChIInChI=1S/C6H14N2O/c9-3-1-2-6-4-7-8-5-6/h6-9H,1-5H2
InChIKeyKENAUCFERRJJOV-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.52
Rot. Bonds3

About 3-pyrazolidin-4-ylpropan-1-ol

3-pyrazolidin-4-ylpropan-1-ol (PubChem CID 89209456) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 3-pyrazolidin-4-ylpropan-1-ol.

Molecular Properties

Compound Name3-pyrazolidin-4-ylpropan-1-ol
PubChem CID89209456
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name3-pyrazolidin-4-ylpropan-1-ol
SMILESOCCCC1CNNC1
InChIInChI=1S/C6H14N2O/c9-3-1-2-6-4-7-8-5-6/h6-9H,1-5H2
InChIKeyKENAUCFERRJJOV-UHFFFAOYSA-N
XLogP-0.52
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazolidin-4-ylpropan-1-ol?
The IUPAC name of 3-pyrazolidin-4-ylpropan-1-ol (CID 89209456) is 3-pyrazolidin-4-ylpropan-1-ol.
What is the SMILES notation for 3-pyrazolidin-4-ylpropan-1-ol?
The canonical SMILES for 3-pyrazolidin-4-ylpropan-1-ol is OCCCC1CNNC1.
What is the InChIKey of 3-pyrazolidin-4-ylpropan-1-ol?
The InChIKey is KENAUCFERRJJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c9-3-1-2-6-4-7-8-5-6/h6-9H,1-5H2.
What are the key properties of 3-pyrazolidin-4-ylpropan-1-ol?
3-pyrazolidin-4-ylpropan-1-ol has a molecular weight of 130.19 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazolidin-4-ylpropan-1-ol is sourced from PubChem (CID 89209456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).