(5S)-5-[(1S,2R)-2-hydroxy-1,3-bis(phenylmethoxy)propyl]pyrazolidin-3-one

C20H24N2O4 — CID 134876910

IUPAC(5S)-5-[(1S,2R)-2-hydroxy-1,3-bis(phenylmethoxy)propyl]pyrazolidin-3-one
SMILESO=C1C[C@@H]([C@H](OCc2ccccc2)[C@H](O)COCc2ccccc2)NN1
InChIInChI=1S/C20H24N2O4/c23-18(14-25-12-15-7-3-1-4-8-15)20(17-11-19(24)22-21-17)26-13-16-9-5-2-6-10-16/h1-10,17-18,20-21,23H,11-14H2,(H,22,24)/t17-,18+,20-/m0/s1
InChIKeyRXSOYSYUKHGCAP-NSHGMRRFSA-N
MW356.42 g/mol
LogP1.54
Rot. Bonds9

About (5S)-5-[(1S,2R)-2-hydroxy-1,3-bis(phenylmethoxy)propyl]pyrazolidin-3-one

(5S)-5-[(1S,2R)-2-hydroxy-1,3-bis(phenylmethoxy)propyl]pyrazolidin-3-one (PubChem CID 134876910) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is (5S)-5-[(1S,2R)-2-hydroxy-1,3-bis(phenylmethoxy)propyl]pyrazolidin-3-one.

Molecular Properties

Compound Name(5S)-5-[(1S,2R)-2-hydroxy-1,3-bis(phenylmethoxy)propyl]pyrazolidin-3-one
PubChem CID134876910
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name(5S)-5-[(1S,2R)-2-hydroxy-1,3-bis(phenylmethoxy)propyl]pyrazolidin-3-one
SMILESO=C1C[C@@H]([C@H](OCc2ccccc2)[C@H](O)COCc2ccccc2)NN1
InChIInChI=1S/C20H24N2O4/c23-18(14-25-12-15-7-3-1-4-8-15)20(17-11-19(24)22-21-17)26-13-16-9-5-2-6-10-16/h1-10,17-18,20-21,23H,11-14H2,(H,22,24)/t17-,18+,20-/m0/s1
InChIKeyRXSOYSYUKHGCAP-NSHGMRRFSA-N
XLogP1.54
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
(2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol
CID 14303090
(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
CID 11067059
dimethyl (E)-2-[2-acetyl-3-[(1S,2S)-2-hydroxy-1,3-bis(phenylmethoxy)propyl]-5-oxopyrazolidin-1-yl]but-2-enedioate
CID 134925426
(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol
CID 101350837
5-[1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one
CID 68610522
(2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal
CID 87261996
(2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol
CID 11827633
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2S,3S)-3-bromo-1,4-bis(phenylmethoxy)butan-2-ol
CID 101083353
(2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol
CID 10881156

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(1S,2R)-2-hydroxy-1,3-bis(phenylmethoxy)propyl]pyrazolidin-3-one?
The IUPAC name of (5S)-5-[(1S,2R)-2-hydroxy-1,3-bis(phenylmethoxy)propyl]pyrazolidin-3-one (CID 134876910) is (5S)-5-[(1S,2R)-2-hydroxy-1,3-bis(phenylmethoxy)propyl]pyrazolidin-3-one.
What is the SMILES notation for (5S)-5-[(1S,2R)-2-hydroxy-1,3-bis(phenylmethoxy)propyl]pyrazolidin-3-one?
The canonical SMILES for (5S)-5-[(1S,2R)-2-hydroxy-1,3-bis(phenylmethoxy)propyl]pyrazolidin-3-one is O=C1C[C@@H]([C@H](OCc2ccccc2)[C@H](O)COCc2ccccc2)NN1.
What is the InChIKey of (5S)-5-[(1S,2R)-2-hydroxy-1,3-bis(phenylmethoxy)propyl]pyrazolidin-3-one?
The InChIKey is RXSOYSYUKHGCAP-NSHGMRRFSA-N. The full InChI is InChI=1S/C20H24N2O4/c23-18(14-25-12-15-7-3-1-4-8-15)20(17-11-19(24)22-21-17)26-13-16-9-5-2-6-10-16/h1-10,17-18,20-21,23H,11-14H2,(H,22,24)/t17-,18+,20-/m0/s1.
What are the key properties of (5S)-5-[(1S,2R)-2-hydroxy-1,3-bis(phenylmethoxy)propyl]pyrazolidin-3-one?
(5S)-5-[(1S,2R)-2-hydroxy-1,3-bis(phenylmethoxy)propyl]pyrazolidin-3-one has a molecular weight of 356.42 g/mol, XLogP of 1.54, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1S,2R)-2-hydroxy-1,3-bis(phenylmethoxy)propyl]pyrazolidin-3-one is sourced from PubChem (CID 134876910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).