3-(3-pyridin-2-ylpyrazolidin-4-yl)propanenitrile

C11H14N4 — CID 164664198

IUPAC3-(3-pyridin-2-ylpyrazolidin-4-yl)propanenitrile
SMILESN#CCCC1CNNC1c1ccccn1
InChIInChI=1S/C11H14N4/c12-6-3-4-9-8-14-15-11(9)10-5-1-2-7-13-10/h1-2,5,7,9,11,14-15H,3-4,8H2
InChIKeyUGAQVOFPLCBMPH-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.15
Rot. Bonds3

About 3-(3-pyridin-2-ylpyrazolidin-4-yl)propanenitrile

3-(3-pyridin-2-ylpyrazolidin-4-yl)propanenitrile (PubChem CID 164664198) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-(3-pyridin-2-ylpyrazolidin-4-yl)propanenitrile.

Molecular Properties

Compound Name3-(3-pyridin-2-ylpyrazolidin-4-yl)propanenitrile
PubChem CID164664198
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name3-(3-pyridin-2-ylpyrazolidin-4-yl)propanenitrile
SMILESN#CCCC1CNNC1c1ccccn1
InChIInChI=1S/C11H14N4/c12-6-3-4-9-8-14-15-11(9)10-5-1-2-7-13-10/h1-2,5,7,9,11,14-15H,3-4,8H2
InChIKeyUGAQVOFPLCBMPH-UHFFFAOYSA-N
XLogP1.15
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-pyridin-2-ylpyrazolidin-4-yl)propanenitrile?
The IUPAC name of 3-(3-pyridin-2-ylpyrazolidin-4-yl)propanenitrile (CID 164664198) is 3-(3-pyridin-2-ylpyrazolidin-4-yl)propanenitrile.
What is the SMILES notation for 3-(3-pyridin-2-ylpyrazolidin-4-yl)propanenitrile?
The canonical SMILES for 3-(3-pyridin-2-ylpyrazolidin-4-yl)propanenitrile is N#CCCC1CNNC1c1ccccn1.
What is the InChIKey of 3-(3-pyridin-2-ylpyrazolidin-4-yl)propanenitrile?
The InChIKey is UGAQVOFPLCBMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c12-6-3-4-9-8-14-15-11(9)10-5-1-2-7-13-10/h1-2,5,7,9,11,14-15H,3-4,8H2.
What are the key properties of 3-(3-pyridin-2-ylpyrazolidin-4-yl)propanenitrile?
3-(3-pyridin-2-ylpyrazolidin-4-yl)propanenitrile has a molecular weight of 202.26 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyridin-2-ylpyrazolidin-4-yl)propanenitrile is sourced from PubChem (CID 164664198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).