4-[5-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazolidin-3-yl]pyridine

C16H20N6 — CID 50989563

IUPAC4-[5-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazolidin-3-yl]pyridine
SMILESc1cc(C2CC(C3CC(c4ccncc4)NN3)NN2)ccn1
InChIInChI=1S/C16H20N6/c1-5-17-6-2-11(1)13-9-15(21-19-13)16-10-14(20-22-16)12-3-7-18-8-4-12/h1-8,13-16,19-22H,9-10H2
InChIKeyVTYXSWNIHPBGQA-UHFFFAOYSA-N
MW296.38 g/mol
LogP0.99
Rot. Bonds3

About 4-[5-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazolidin-3-yl]pyridine

4-[5-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazolidin-3-yl]pyridine (PubChem CID 50989563) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 4-[5-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazolidin-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazolidin-3-yl]pyridine
PubChem CID50989563
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name4-[5-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazolidin-3-yl]pyridine
SMILESc1cc(C2CC(C3CC(c4ccncc4)NN3)NN2)ccn1
InChIInChI=1S/C16H20N6/c1-5-17-6-2-11(1)13-9-15(21-19-13)16-10-14(20-22-16)12-3-7-18-8-4-12/h1-8,13-16,19-22H,9-10H2
InChIKeyVTYXSWNIHPBGQA-UHFFFAOYSA-N
XLogP0.99
TPSA73.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazolidin-3-yl]pyridine?
The IUPAC name of 4-[5-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazolidin-3-yl]pyridine (CID 50989563) is 4-[5-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazolidin-3-yl]pyridine.
What is the SMILES notation for 4-[5-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazolidin-3-yl]pyridine?
The canonical SMILES for 4-[5-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazolidin-3-yl]pyridine is c1cc(C2CC(C3CC(c4ccncc4)NN3)NN2)ccn1.
What is the InChIKey of 4-[5-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazolidin-3-yl]pyridine?
The InChIKey is VTYXSWNIHPBGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-5-17-6-2-11(1)13-9-15(21-19-13)16-10-14(20-22-16)12-3-7-18-8-4-12/h1-8,13-16,19-22H,9-10H2.
What are the key properties of 4-[5-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazolidin-3-yl]pyridine?
4-[5-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazolidin-3-yl]pyridine has a molecular weight of 296.38 g/mol, XLogP of 0.99, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazolidin-3-yl]pyridine is sourced from PubChem (CID 50989563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).