1-tetradecylpyrazolidin-3-one

C17H34N2O — CID 19868552

IUPAC1-tetradecylpyrazolidin-3-one
SMILESCCCCCCCCCCCCCCN1CCC(=O)N1
InChIInChI=1S/C17H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-16-14-17(20)18-19/h2-16H2,1H3,(H,18,20)
InChIKeyBSPRYUQORIFUHI-UHFFFAOYSA-N
MW282.47 g/mol
LogP4.42
Rot. Bonds13

About 1-tetradecylpyrazolidin-3-one

1-tetradecylpyrazolidin-3-one (PubChem CID 19868552) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-tetradecylpyrazolidin-3-one.

Molecular Properties

Compound Name1-tetradecylpyrazolidin-3-one
PubChem CID19868552
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-tetradecylpyrazolidin-3-one
SMILESCCCCCCCCCCCCCCN1CCC(=O)N1
InChIInChI=1S/C17H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-16-14-17(20)18-19/h2-16H2,1H3,(H,18,20)
InChIKeyBSPRYUQORIFUHI-UHFFFAOYSA-N
XLogP4.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-tetradecylpyrazolidin-3-one?
The IUPAC name of 1-tetradecylpyrazolidin-3-one (CID 19868552) is 1-tetradecylpyrazolidin-3-one.
What is the SMILES notation for 1-tetradecylpyrazolidin-3-one?
The canonical SMILES for 1-tetradecylpyrazolidin-3-one is CCCCCCCCCCCCCCN1CCC(=O)N1.
What is the InChIKey of 1-tetradecylpyrazolidin-3-one?
The InChIKey is BSPRYUQORIFUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-16-14-17(20)18-19/h2-16H2,1H3,(H,18,20).
What are the key properties of 1-tetradecylpyrazolidin-3-one?
1-tetradecylpyrazolidin-3-one has a molecular weight of 282.47 g/mol, XLogP of 4.42, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tetradecylpyrazolidin-3-one is sourced from PubChem (CID 19868552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).