1-(3-aminopropyl)-5-phenylpyrazolidin-3-one

C12H17N3O — CID 105474530

IUPAC1-(3-aminopropyl)-5-phenylpyrazolidin-3-one
SMILESNCCCN1NC(=O)CC1c1ccccc1
InChIInChI=1S/C12H17N3O/c13-7-4-8-15-11(9-12(16)14-15)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,13H2,(H,14,16)
InChIKeyKZIKNGUVLZNAMJ-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.81
Rot. Bonds4

About 1-(3-aminopropyl)-5-phenylpyrazolidin-3-one

1-(3-aminopropyl)-5-phenylpyrazolidin-3-one (PubChem CID 105474530) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(3-aminopropyl)-5-phenylpyrazolidin-3-one.

Molecular Properties

Compound Name1-(3-aminopropyl)-5-phenylpyrazolidin-3-one
PubChem CID105474530
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(3-aminopropyl)-5-phenylpyrazolidin-3-one
SMILESNCCCN1NC(=O)CC1c1ccccc1
InChIInChI=1S/C12H17N3O/c13-7-4-8-15-11(9-12(16)14-15)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,13H2,(H,14,16)
InChIKeyKZIKNGUVLZNAMJ-UHFFFAOYSA-N
XLogP0.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-5-phenylpyrazolidin-3-one?
The IUPAC name of 1-(3-aminopropyl)-5-phenylpyrazolidin-3-one (CID 105474530) is 1-(3-aminopropyl)-5-phenylpyrazolidin-3-one.
What is the SMILES notation for 1-(3-aminopropyl)-5-phenylpyrazolidin-3-one?
The canonical SMILES for 1-(3-aminopropyl)-5-phenylpyrazolidin-3-one is NCCCN1NC(=O)CC1c1ccccc1.
What is the InChIKey of 1-(3-aminopropyl)-5-phenylpyrazolidin-3-one?
The InChIKey is KZIKNGUVLZNAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-7-4-8-15-11(9-12(16)14-15)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,13H2,(H,14,16).
What are the key properties of 1-(3-aminopropyl)-5-phenylpyrazolidin-3-one?
1-(3-aminopropyl)-5-phenylpyrazolidin-3-one has a molecular weight of 219.29 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-5-phenylpyrazolidin-3-one is sourced from PubChem (CID 105474530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).