(5S)-1,5-dibenzylpyrazolidin-3-one

C17H18N2O — CID 102075291

IUPAC(5S)-1,5-dibenzylpyrazolidin-3-one
SMILESO=C1C[C@H](Cc2ccccc2)N(Cc2ccccc2)N1
InChIInChI=1S/C17H18N2O/c20-17-12-16(11-14-7-3-1-4-8-14)19(18-17)13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,18,20)/t16-/m0/s1
InChIKeyLESAGJUYPQYFOA-INIZCTEOSA-N
MW266.34 g/mol
LogP2.53
Rot. Bonds4

About (5S)-1,5-dibenzylpyrazolidin-3-one

(5S)-1,5-dibenzylpyrazolidin-3-one (PubChem CID 102075291) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (5S)-1,5-dibenzylpyrazolidin-3-one.

Molecular Properties

Compound Name(5S)-1,5-dibenzylpyrazolidin-3-one
PubChem CID102075291
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(5S)-1,5-dibenzylpyrazolidin-3-one
SMILESO=C1C[C@H](Cc2ccccc2)N(Cc2ccccc2)N1
InChIInChI=1S/C17H18N2O/c20-17-12-16(11-14-7-3-1-4-8-14)19(18-17)13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,18,20)/t16-/m0/s1
InChIKeyLESAGJUYPQYFOA-INIZCTEOSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-1-benzyl-5-propan-2-ylpyrazolidin-3-one
CID 102075289
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(3S)-2,3-dibenzyl-3,4-dihydroisoquinolin-1-one
CID 160964230
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CID 59318444
(5R)-5-benzylpyrrolidin-2-one
CID 740530
(5R)-5-benzyl-1-methylimidazolidin-2-one
CID 95426077
(5S)-5-benzyl-1-methylimidazolidin-2-one
CID 95426078
(4R)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 14836208
1-(2-aminoethyl)-5-phenylpyrazolidin-3-one
CID 105457731
(2R)-2-benzyl-1-methylaziridine
CID 87174257
(4R)-1-benzyl-4-(hydroxymethyl)azetidin-2-one
CID 10856298

Frequently Asked Questions

What is the IUPAC name of (5S)-1,5-dibenzylpyrazolidin-3-one?
The IUPAC name of (5S)-1,5-dibenzylpyrazolidin-3-one (CID 102075291) is (5S)-1,5-dibenzylpyrazolidin-3-one.
What is the SMILES notation for (5S)-1,5-dibenzylpyrazolidin-3-one?
The canonical SMILES for (5S)-1,5-dibenzylpyrazolidin-3-one is O=C1C[C@H](Cc2ccccc2)N(Cc2ccccc2)N1.
What is the InChIKey of (5S)-1,5-dibenzylpyrazolidin-3-one?
The InChIKey is LESAGJUYPQYFOA-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18N2O/c20-17-12-16(11-14-7-3-1-4-8-14)19(18-17)13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,18,20)/t16-/m0/s1.
What are the key properties of (5S)-1,5-dibenzylpyrazolidin-3-one?
(5S)-1,5-dibenzylpyrazolidin-3-one has a molecular weight of 266.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1,5-dibenzylpyrazolidin-3-one is sourced from PubChem (CID 102075291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).