3-cyclohex-3-en-1-yl-5-(5-cyclohexylcyclohexen-1-yl)pyrazolidine

C21H34N2 — CID 129125668

IUPAC3-cyclohex-3-en-1-yl-5-(5-cyclohexylcyclohexen-1-yl)pyrazolidine
SMILESC1=CCC(C2CC(C3=CCCC(C4CCCCC4)C3)NN2)CC1
InChIInChI=1S/C21H34N2/c1-3-8-16(9-4-1)18-12-7-13-19(14-18)21-15-20(22-23-21)17-10-5-2-6-11-17/h2,5,13,16-18,20-23H,1,3-4,6-12,14-15H2
InChIKeyFIFKICRJFFAAAJ-UHFFFAOYSA-N
MW314.52 g/mol
LogP4.88
Rot. Bonds3

About 3-cyclohex-3-en-1-yl-5-(5-cyclohexylcyclohexen-1-yl)pyrazolidine

3-cyclohex-3-en-1-yl-5-(5-cyclohexylcyclohexen-1-yl)pyrazolidine (PubChem CID 129125668) has the molecular formula C21H34N2 and a molecular weight of 314.52 g/mol. Its IUPAC name is 3-cyclohex-3-en-1-yl-5-(5-cyclohexylcyclohexen-1-yl)pyrazolidine.

Molecular Properties

Compound Name3-cyclohex-3-en-1-yl-5-(5-cyclohexylcyclohexen-1-yl)pyrazolidine
PubChem CID129125668
Molecular FormulaC21H34N2
Molecular Weight314.52 g/mol
Exact Mass314.27
IUPAC Name3-cyclohex-3-en-1-yl-5-(5-cyclohexylcyclohexen-1-yl)pyrazolidine
SMILESC1=CCC(C2CC(C3=CCCC(C4CCCCC4)C3)NN2)CC1
InChIInChI=1S/C21H34N2/c1-3-8-16(9-4-1)18-12-7-13-19(14-18)21-15-20(22-23-21)17-10-5-2-6-11-17/h2,5,13,16-18,20-23H,1,3-4,6-12,14-15H2
InChIKeyFIFKICRJFFAAAJ-UHFFFAOYSA-N
XLogP4.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohex-3-en-1-yl-5-(5-cyclohexylcyclohexen-1-yl)pyrazolidine?
The IUPAC name of 3-cyclohex-3-en-1-yl-5-(5-cyclohexylcyclohexen-1-yl)pyrazolidine (CID 129125668) is 3-cyclohex-3-en-1-yl-5-(5-cyclohexylcyclohexen-1-yl)pyrazolidine.
What is the SMILES notation for 3-cyclohex-3-en-1-yl-5-(5-cyclohexylcyclohexen-1-yl)pyrazolidine?
The canonical SMILES for 3-cyclohex-3-en-1-yl-5-(5-cyclohexylcyclohexen-1-yl)pyrazolidine is C1=CCC(C2CC(C3=CCCC(C4CCCCC4)C3)NN2)CC1.
What is the InChIKey of 3-cyclohex-3-en-1-yl-5-(5-cyclohexylcyclohexen-1-yl)pyrazolidine?
The InChIKey is FIFKICRJFFAAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2/c1-3-8-16(9-4-1)18-12-7-13-19(14-18)21-15-20(22-23-21)17-10-5-2-6-11-17/h2,5,13,16-18,20-23H,1,3-4,6-12,14-15H2.
What are the key properties of 3-cyclohex-3-en-1-yl-5-(5-cyclohexylcyclohexen-1-yl)pyrazolidine?
3-cyclohex-3-en-1-yl-5-(5-cyclohexylcyclohexen-1-yl)pyrazolidine has a molecular weight of 314.52 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-3-en-1-yl-5-(5-cyclohexylcyclohexen-1-yl)pyrazolidine is sourced from PubChem (CID 129125668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).