3-benzylpyrazolidine

C10H14N2 — CID 138058728

IUPAC3-benzylpyrazolidine
SMILESc1ccc(CC2CCNN2)cc1
InChIInChI=1S/C10H14N2/c1-2-4-9(5-3-1)8-10-6-7-11-12-10/h1-5,10-12H,6-8H2
InChIKeyHHHUMCWAHUPRBX-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.10
Rot. Bonds2

About 3-benzylpyrazolidine

3-benzylpyrazolidine (PubChem CID 138058728) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 3-benzylpyrazolidine.

Molecular Properties

Compound Name3-benzylpyrazolidine
PubChem CID138058728
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name3-benzylpyrazolidine
SMILESc1ccc(CC2CCNN2)cc1
InChIInChI=1S/C10H14N2/c1-2-4-9(5-3-1)8-10-6-7-11-12-10/h1-5,10-12H,6-8H2
InChIKeyHHHUMCWAHUPRBX-UHFFFAOYSA-N
XLogP1.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-benzylpyrazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-benzylazetidine;molecular hydrogen
CID 145023089
5-benzyldiazepane
CID 154443129
(2R,4R)-2,4-dibenzylpiperidine
CID 101092769
5,12-dibenzyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
CID 57147750
(2R,5R)-2-benzyl-5-ethylpyrrolidine
CID 11267979
(5R)-5-benzylpyrrolidin-2-one
CID 740530
5-benzylpyrrolidine-2-thione
CID 89366574
(2R)-2-benzyl-2,3-dihydro-1H-indole
CID 71608217
(2R,5R)-2-benzyl-5-(2-phenylethyl)pyrrolidine;hydrochloride
CID 70526250
(2S)-2-benzyl-1,4-diazocane
CID 101486734
6-benzylpiperidin-2-ol
CID 163764963
(2S,8S)-2,8-dibenzyl-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium iodide
CID 177434989

Frequently Asked Questions

What is the IUPAC name of 3-benzylpyrazolidine?
The IUPAC name of 3-benzylpyrazolidine (CID 138058728) is 3-benzylpyrazolidine.
What is the SMILES notation for 3-benzylpyrazolidine?
The canonical SMILES for 3-benzylpyrazolidine is c1ccc(CC2CCNN2)cc1.
What is the InChIKey of 3-benzylpyrazolidine?
The InChIKey is HHHUMCWAHUPRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-4-9(5-3-1)8-10-6-7-11-12-10/h1-5,10-12H,6-8H2.
What are the key properties of 3-benzylpyrazolidine?
3-benzylpyrazolidine has a molecular weight of 162.24 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylpyrazolidine is sourced from PubChem (CID 138058728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).