1,2-dibenzylpyrazolidin-4-ol

C17H20N2O — CID 12543345

IUPAC1,2-dibenzylpyrazolidin-4-ol
SMILESOC1CN(Cc2ccccc2)N(Cc2ccccc2)C1
InChIInChI=1S/C17H20N2O/c20-17-13-18(11-15-7-3-1-4-8-15)19(14-17)12-16-9-5-2-6-10-16/h1-10,17,20H,11-14H2
InChIKeyJEUACEVJELVEJQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.28
Rot. Bonds4

About 1,2-dibenzylpyrazolidin-4-ol

1,2-dibenzylpyrazolidin-4-ol (PubChem CID 12543345) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1,2-dibenzylpyrazolidin-4-ol.

Molecular Properties

Compound Name1,2-dibenzylpyrazolidin-4-ol
PubChem CID12543345
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1,2-dibenzylpyrazolidin-4-ol
SMILESOC1CN(Cc2ccccc2)N(Cc2ccccc2)C1
InChIInChI=1S/C17H20N2O/c20-17-13-18(11-15-7-3-1-4-8-15)19(14-17)12-16-9-5-2-6-10-16/h1-10,17,20H,11-14H2
InChIKeyJEUACEVJELVEJQ-UHFFFAOYSA-N
XLogP2.28
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dibenzylpyrazolidin-4-amine
CID 20519767
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
(6S)-1-benzyl-6-hydroxyazepan-2-one
CID 142998069
(3R)-1-benzylazepan-3-ol
CID 124585423
(3R,5R)-1-benzyl-5-phenylpiperidin-3-ol
CID 12900714
(1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol
CID 24823154
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053
(6R)-1-benzyl-4-(2-morpholin-4-ylethyl)-1,4-diazepan-6-ol
CID 97435614
6-amino-1-benzylazepan-3-ol
CID 83486567
1-(4-phenylbutyl)azetidin-3-ol
CID 114334514
(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
CID 11579361

Frequently Asked Questions

What is the IUPAC name of 1,2-dibenzylpyrazolidin-4-ol?
The IUPAC name of 1,2-dibenzylpyrazolidin-4-ol (CID 12543345) is 1,2-dibenzylpyrazolidin-4-ol.
What is the SMILES notation for 1,2-dibenzylpyrazolidin-4-ol?
The canonical SMILES for 1,2-dibenzylpyrazolidin-4-ol is OC1CN(Cc2ccccc2)N(Cc2ccccc2)C1.
What is the InChIKey of 1,2-dibenzylpyrazolidin-4-ol?
The InChIKey is JEUACEVJELVEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17-13-18(11-15-7-3-1-4-8-15)19(14-17)12-16-9-5-2-6-10-16/h1-10,17,20H,11-14H2.
What are the key properties of 1,2-dibenzylpyrazolidin-4-ol?
1,2-dibenzylpyrazolidin-4-ol has a molecular weight of 268.36 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibenzylpyrazolidin-4-ol is sourced from PubChem (CID 12543345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).