(5R)-1-benzyl-5-propan-2-ylpyrazolidin-3-one

C13H18N2O — CID 102075289

IUPAC(5R)-1-benzyl-5-propan-2-ylpyrazolidin-3-one
SMILESCC(C)[C@H]1CC(=O)NN1Cc1ccccc1
InChIInChI=1S/C13H18N2O/c1-10(2)12-8-13(16)14-15(12)9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,14,16)/t12-/m1/s1
InChIKeyIGRNXVXCVLNSHX-GFCCVEGCSA-N
MW218.30 g/mol
LogP1.95
Rot. Bonds3

About (5R)-1-benzyl-5-propan-2-ylpyrazolidin-3-one

(5R)-1-benzyl-5-propan-2-ylpyrazolidin-3-one (PubChem CID 102075289) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (5R)-1-benzyl-5-propan-2-ylpyrazolidin-3-one.

Molecular Properties

Compound Name(5R)-1-benzyl-5-propan-2-ylpyrazolidin-3-one
PubChem CID102075289
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(5R)-1-benzyl-5-propan-2-ylpyrazolidin-3-one
SMILESCC(C)[C@H]1CC(=O)NN1Cc1ccccc1
InChIInChI=1S/C13H18N2O/c1-10(2)12-8-13(16)14-15(12)9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,14,16)/t12-/m1/s1
InChIKeyIGRNXVXCVLNSHX-GFCCVEGCSA-N
XLogP1.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-1,5-dibenzylpyrazolidin-3-one
CID 102075291
1-benzyl-2-propan-2-yl-2,3-dihydropyridin-4-one
CID 12787406
3-benzyl-1-(2,5-dichlorophenyl)-4-propan-2-ylimidazolidin-2-one
CID 24968350
(2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine
CID 46705371
(4S)-1-benzyl-4-propan-2-ylpiperidin-2-one
CID 171430314
1-(2-aminoethyl)-5-phenylpyrazolidin-3-one
CID 105457731
(2R,6R)-1-benzyl-2-[(1S)-1-hydroxyethyl]-6-phenylpiperidin-4-one
CID 10881427
(3R)-1-benzyl-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-5-one
CID 95525331
2-benzyl-4-propan-2-yl-1,2,5-thiadiazolidin-3-one
CID 19424410
1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one
CID 141420568
(5S)-3-benzyl-5-propan-2-yl-1,3-thiazolidin-2-one
CID 131860745
3-benzyl-2-oxo-5-propan-2-ylimidazolidine-4-carboxylic acid
CID 66523901

Frequently Asked Questions

What is the IUPAC name of (5R)-1-benzyl-5-propan-2-ylpyrazolidin-3-one?
The IUPAC name of (5R)-1-benzyl-5-propan-2-ylpyrazolidin-3-one (CID 102075289) is (5R)-1-benzyl-5-propan-2-ylpyrazolidin-3-one.
What is the SMILES notation for (5R)-1-benzyl-5-propan-2-ylpyrazolidin-3-one?
The canonical SMILES for (5R)-1-benzyl-5-propan-2-ylpyrazolidin-3-one is CC(C)[C@H]1CC(=O)NN1Cc1ccccc1.
What is the InChIKey of (5R)-1-benzyl-5-propan-2-ylpyrazolidin-3-one?
The InChIKey is IGRNXVXCVLNSHX-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10(2)12-8-13(16)14-15(12)9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,14,16)/t12-/m1/s1.
What are the key properties of (5R)-1-benzyl-5-propan-2-ylpyrazolidin-3-one?
(5R)-1-benzyl-5-propan-2-ylpyrazolidin-3-one has a molecular weight of 218.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-benzyl-5-propan-2-ylpyrazolidin-3-one is sourced from PubChem (CID 102075289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).