1-(5-methyl-2-pyridinyl)pyrazolidin-3-one

C9H11N3O — CID 140764066

IUPAC1-(5-methyl-2-pyridinyl)pyrazolidin-3-one
SMILESCc1ccc(N2CCC(=O)N2)nc1
InChIInChI=1S/C9H11N3O/c1-7-2-3-8(10-6-7)12-5-4-9(13)11-12/h2-3,6H,4-5H2,1H3,(H,11,13)
InChIKeyVUTFSEDBSDFCPI-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.63
Rot. Bonds1

About 1-(5-methyl-2-pyridinyl)pyrazolidin-3-one

1-(5-methyl-2-pyridinyl)pyrazolidin-3-one (PubChem CID 140764066) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridinyl)pyrazolidin-3-one.

Molecular Properties

Compound Name1-(5-methyl-2-pyridinyl)pyrazolidin-3-one
PubChem CID140764066
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name1-(5-methyl-2-pyridinyl)pyrazolidin-3-one
SMILESCc1ccc(N2CCC(=O)N2)nc1
InChIInChI=1S/C9H11N3O/c1-7-2-3-8(10-6-7)12-5-4-9(13)11-12/h2-3,6H,4-5H2,1H3,(H,11,13)
InChIKeyVUTFSEDBSDFCPI-UHFFFAOYSA-N
XLogP0.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pyridinyl)pyrazolidin-3-one?
The IUPAC name of 1-(5-methyl-2-pyridinyl)pyrazolidin-3-one (CID 140764066) is 1-(5-methyl-2-pyridinyl)pyrazolidin-3-one.
What is the SMILES notation for 1-(5-methyl-2-pyridinyl)pyrazolidin-3-one?
The canonical SMILES for 1-(5-methyl-2-pyridinyl)pyrazolidin-3-one is Cc1ccc(N2CCC(=O)N2)nc1.
What is the InChIKey of 1-(5-methyl-2-pyridinyl)pyrazolidin-3-one?
The InChIKey is VUTFSEDBSDFCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-7-2-3-8(10-6-7)12-5-4-9(13)11-12/h2-3,6H,4-5H2,1H3,(H,11,13).
What are the key properties of 1-(5-methyl-2-pyridinyl)pyrazolidin-3-one?
1-(5-methyl-2-pyridinyl)pyrazolidin-3-one has a molecular weight of 177.21 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridinyl)pyrazolidin-3-one is sourced from PubChem (CID 140764066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).