5-piperidin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one

C15H21N5O — CID 72872590

IUPAC5-piperidin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one
SMILESO=c1cc(N2CCCCC2)cnn1CCCn1cccn1
InChIInChI=1S/C15H21N5O/c21-15-12-14(18-7-2-1-3-8-18)13-17-20(15)11-5-10-19-9-4-6-16-19/h4,6,9,12-13H,1-3,5,7-8,10-11H2
InChIKeyVGHNDTXAOPTVAI-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.52
Rot. Bonds5

About 5-piperidin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one

5-piperidin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one (PubChem CID 72872590) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 5-piperidin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-piperidin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one
PubChem CID72872590
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name5-piperidin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one
SMILESO=c1cc(N2CCCCC2)cnn1CCCn1cccn1
InChIInChI=1S/C15H21N5O/c21-15-12-14(18-7-2-1-3-8-18)13-17-20(15)11-5-10-19-9-4-6-16-19/h4,6,9,12-13H,1-3,5,7-8,10-11H2
InChIKeyVGHNDTXAOPTVAI-UHFFFAOYSA-N
XLogP1.52
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one?
The IUPAC name of 5-piperidin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one (CID 72872590) is 5-piperidin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-piperidin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one?
The canonical SMILES for 5-piperidin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one is O=c1cc(N2CCCCC2)cnn1CCCn1cccn1.
What is the InChIKey of 5-piperidin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one?
The InChIKey is VGHNDTXAOPTVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c21-15-12-14(18-7-2-1-3-8-18)13-17-20(15)11-5-10-19-9-4-6-16-19/h4,6,9,12-13H,1-3,5,7-8,10-11H2.
What are the key properties of 5-piperidin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one?
5-piperidin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one has a molecular weight of 287.37 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one is sourced from PubChem (CID 72872590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).