1-(2-aminopropyl)-2-(4-methylphenyl)pyrazolidin-3-one

C13H19N3O — CID 105493282

IUPAC1-(2-aminopropyl)-2-(4-methylphenyl)pyrazolidin-3-one
SMILESCc1ccc(N2C(=O)CCN2CC(C)N)cc1
InChIInChI=1S/C13H19N3O/c1-10-3-5-12(6-4-10)16-13(17)7-8-15(16)9-11(2)14/h3-6,11H,7-9,14H2,1-2H3
InChIKeyKXVPKIZIZZBUAA-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.30
Rot. Bonds3

About 1-(2-aminopropyl)-2-(4-methylphenyl)pyrazolidin-3-one

1-(2-aminopropyl)-2-(4-methylphenyl)pyrazolidin-3-one (PubChem CID 105493282) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(2-aminopropyl)-2-(4-methylphenyl)pyrazolidin-3-one.

Molecular Properties

Compound Name1-(2-aminopropyl)-2-(4-methylphenyl)pyrazolidin-3-one
PubChem CID105493282
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(2-aminopropyl)-2-(4-methylphenyl)pyrazolidin-3-one
SMILESCc1ccc(N2C(=O)CCN2CC(C)N)cc1
InChIInChI=1S/C13H19N3O/c1-10-3-5-12(6-4-10)16-13(17)7-8-15(16)9-11(2)14/h3-6,11H,7-9,14H2,1-2H3
InChIKeyKXVPKIZIZZBUAA-UHFFFAOYSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropyl)-2-(4-methylphenyl)pyrazolidin-3-one?
The IUPAC name of 1-(2-aminopropyl)-2-(4-methylphenyl)pyrazolidin-3-one (CID 105493282) is 1-(2-aminopropyl)-2-(4-methylphenyl)pyrazolidin-3-one.
What is the SMILES notation for 1-(2-aminopropyl)-2-(4-methylphenyl)pyrazolidin-3-one?
The canonical SMILES for 1-(2-aminopropyl)-2-(4-methylphenyl)pyrazolidin-3-one is Cc1ccc(N2C(=O)CCN2CC(C)N)cc1.
What is the InChIKey of 1-(2-aminopropyl)-2-(4-methylphenyl)pyrazolidin-3-one?
The InChIKey is KXVPKIZIZZBUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-3-5-12(6-4-10)16-13(17)7-8-15(16)9-11(2)14/h3-6,11H,7-9,14H2,1-2H3.
What are the key properties of 1-(2-aminopropyl)-2-(4-methylphenyl)pyrazolidin-3-one?
1-(2-aminopropyl)-2-(4-methylphenyl)pyrazolidin-3-one has a molecular weight of 233.31 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropyl)-2-(4-methylphenyl)pyrazolidin-3-one is sourced from PubChem (CID 105493282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).