1,3,5-triphenylpyrazolidine

C21H20N2 — CID 5216868

IUPAC1,3,5-triphenylpyrazolidine
SMILESc1ccc(C2CC(c3ccccc3)N(c3ccccc3)N2)cc1
InChIInChI=1S/C21H20N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23(22-20)19-14-8-3-9-15-19/h1-15,20-22H,16H2
InChIKeyXCDUTMULKOMYGE-UHFFFAOYSA-N
MW300.41 g/mol
LogP4.88
Rot. Bonds3

About 1,3,5-triphenylpyrazolidine

1,3,5-triphenylpyrazolidine (PubChem CID 5216868) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 1,3,5-triphenylpyrazolidine.

Molecular Properties

Compound Name1,3,5-triphenylpyrazolidine
PubChem CID5216868
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC Name1,3,5-triphenylpyrazolidine
SMILESc1ccc(C2CC(c3ccccc3)N(c3ccccc3)N2)cc1
InChIInChI=1S/C21H20N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23(22-20)19-14-8-3-9-15-19/h1-15,20-22H,16H2
InChIKeyXCDUTMULKOMYGE-UHFFFAOYSA-N
XLogP4.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triphenylpyrazolidine?
The IUPAC name of 1,3,5-triphenylpyrazolidine (CID 5216868) is 1,3,5-triphenylpyrazolidine.
What is the SMILES notation for 1,3,5-triphenylpyrazolidine?
The canonical SMILES for 1,3,5-triphenylpyrazolidine is c1ccc(C2CC(c3ccccc3)N(c3ccccc3)N2)cc1.
What is the InChIKey of 1,3,5-triphenylpyrazolidine?
The InChIKey is XCDUTMULKOMYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23(22-20)19-14-8-3-9-15-19/h1-15,20-22H,16H2.
What are the key properties of 1,3,5-triphenylpyrazolidine?
1,3,5-triphenylpyrazolidine has a molecular weight of 300.41 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triphenylpyrazolidine is sourced from PubChem (CID 5216868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).