(3S,5R)-1,3,5-triphenylpyrazolidine

C21H20N2 — CID 51417824

IUPAC(3S,5R)-1,3,5-triphenylpyrazolidine
SMILESc1ccc([C@@H]2C[C@H](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/t20-,21+/m0/s1
InChIKeyXCDUTMULKOMYGE-LEWJYISDSA-N
MW300.41 g/mol
LogP4.88
Rot. Bonds3

About (3S,5R)-1,3,5-triphenylpyrazolidine

(3S,5R)-1,3,5-triphenylpyrazolidine (PubChem CID 51417824) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is (3S,5R)-1,3,5-triphenylpyrazolidine.

Molecular Properties

Compound Name(3S,5R)-1,3,5-triphenylpyrazolidine
PubChem CID51417824
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC Name(3S,5R)-1,3,5-triphenylpyrazolidine
SMILESc1ccc([C@@H]2C[C@H](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/t20-,21+/m0/s1
InChIKeyXCDUTMULKOMYGE-LEWJYISDSA-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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Related Compounds

1,3,5-triphenylpyrazolidine
CID 5216868
1-(3,5-diphenylpyrazolidin-1-yl)ethanone
CID 3126002
2-phenyl-2,3,3a,5-tetrahydro-1H-pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 71651753
(4S)-1,4-diphenylimidazolidin-2-one
CID 163207794
(5S,7R)-5,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 811475
(3R,5R)-1,5-diphenylpyrrolidin-3-amine
CID 125491761
(2R)-1-chloro-2-phenylaziridine
CID 13129910
4,5-diphenyl-1,3,4-thiadiazolidine-2-thiolate
CID 23542982
2-[(3S,5S)-2-oxo-5-phenylpyrrolidin-3-yl]isoindole-1,3-dione
CID 142755205
ethane;(2S)-2-phenylaziridine
CID 145185749
(2R,4R,6S)-2,3,4,6-tetraphenyl-1,3-oxazinane
CID 7312558
3-amino-1,5-diphenylpyrrolidin-2-one
CID 131864676

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1,3,5-triphenylpyrazolidine?
The IUPAC name of (3S,5R)-1,3,5-triphenylpyrazolidine (CID 51417824) is (3S,5R)-1,3,5-triphenylpyrazolidine.
What is the SMILES notation for (3S,5R)-1,3,5-triphenylpyrazolidine?
The canonical SMILES for (3S,5R)-1,3,5-triphenylpyrazolidine is c1ccc([C@@H]2C[C@H](c3ccccc3)N(c3ccccc3)N2)cc1.
What is the InChIKey of (3S,5R)-1,3,5-triphenylpyrazolidine?
The InChIKey is XCDUTMULKOMYGE-LEWJYISDSA-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/t20-,21+/m0/s1.
What are the key properties of (3S,5R)-1,3,5-triphenylpyrazolidine?
(3S,5R)-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 (3S,5R)-1,3,5-triphenylpyrazolidine is sourced from PubChem (CID 51417824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).