3-(5-naphthalen-2-ylpyrazolidin-3-yl)pyrrolidine-1-carbonitrile

C18H20N4 — CID 165112446

IUPAC3-(5-naphthalen-2-ylpyrazolidin-3-yl)pyrrolidine-1-carbonitrile
SMILESN#CN1CCC(C2CC(c3ccc4ccccc4c3)NN2)C1
InChIInChI=1S/C18H20N4/c19-12-22-8-7-16(11-22)18-10-17(20-21-18)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9,16-18,20-21H,7-8,10-11H2
InChIKeyUZVZYCGNZLYIGH-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.55
Rot. Bonds2

About 3-(5-naphthalen-2-ylpyrazolidin-3-yl)pyrrolidine-1-carbonitrile

3-(5-naphthalen-2-ylpyrazolidin-3-yl)pyrrolidine-1-carbonitrile (PubChem CID 165112446) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 3-(5-naphthalen-2-ylpyrazolidin-3-yl)pyrrolidine-1-carbonitrile.

Molecular Properties

Compound Name3-(5-naphthalen-2-ylpyrazolidin-3-yl)pyrrolidine-1-carbonitrile
PubChem CID165112446
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name3-(5-naphthalen-2-ylpyrazolidin-3-yl)pyrrolidine-1-carbonitrile
SMILESN#CN1CCC(C2CC(c3ccc4ccccc4c3)NN2)C1
InChIInChI=1S/C18H20N4/c19-12-22-8-7-16(11-22)18-10-17(20-21-18)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9,16-18,20-21H,7-8,10-11H2
InChIKeyUZVZYCGNZLYIGH-UHFFFAOYSA-N
XLogP2.55
TPSA51.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-naphthalen-2-ylpyrazolidin-3-yl)pyrrolidine-1-carbonitrile?
The IUPAC name of 3-(5-naphthalen-2-ylpyrazolidin-3-yl)pyrrolidine-1-carbonitrile (CID 165112446) is 3-(5-naphthalen-2-ylpyrazolidin-3-yl)pyrrolidine-1-carbonitrile.
What is the SMILES notation for 3-(5-naphthalen-2-ylpyrazolidin-3-yl)pyrrolidine-1-carbonitrile?
The canonical SMILES for 3-(5-naphthalen-2-ylpyrazolidin-3-yl)pyrrolidine-1-carbonitrile is N#CN1CCC(C2CC(c3ccc4ccccc4c3)NN2)C1.
What is the InChIKey of 3-(5-naphthalen-2-ylpyrazolidin-3-yl)pyrrolidine-1-carbonitrile?
The InChIKey is UZVZYCGNZLYIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c19-12-22-8-7-16(11-22)18-10-17(20-21-18)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9,16-18,20-21H,7-8,10-11H2.
What are the key properties of 3-(5-naphthalen-2-ylpyrazolidin-3-yl)pyrrolidine-1-carbonitrile?
3-(5-naphthalen-2-ylpyrazolidin-3-yl)pyrrolidine-1-carbonitrile has a molecular weight of 292.39 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-naphthalen-2-ylpyrazolidin-3-yl)pyrrolidine-1-carbonitrile is sourced from PubChem (CID 165112446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).