1-(2-aminoethyl)-5-phenylpyrazolidin-3-one

C11H15N3O — CID 105457731

IUPAC1-(2-aminoethyl)-5-phenylpyrazolidin-3-one
SMILESNCCN1NC(=O)CC1c1ccccc1
InChIInChI=1S/C11H15N3O/c12-6-7-14-10(8-11(15)13-14)9-4-2-1-3-5-9/h1-5,10H,6-8,12H2,(H,13,15)
InChIKeyQVGLAOSNCZNOAK-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.42
Rot. Bonds3

About 1-(2-aminoethyl)-5-phenylpyrazolidin-3-one

1-(2-aminoethyl)-5-phenylpyrazolidin-3-one (PubChem CID 105457731) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(2-aminoethyl)-5-phenylpyrazolidin-3-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-5-phenylpyrazolidin-3-one
PubChem CID105457731
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(2-aminoethyl)-5-phenylpyrazolidin-3-one
SMILESNCCN1NC(=O)CC1c1ccccc1
InChIInChI=1S/C11H15N3O/c12-6-7-14-10(8-11(15)13-14)9-4-2-1-3-5-9/h1-5,10H,6-8,12H2,(H,13,15)
InChIKeyQVGLAOSNCZNOAK-UHFFFAOYSA-N
XLogP0.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-5-phenylpyrazolidin-3-one?
The IUPAC name of 1-(2-aminoethyl)-5-phenylpyrazolidin-3-one (CID 105457731) is 1-(2-aminoethyl)-5-phenylpyrazolidin-3-one.
What is the SMILES notation for 1-(2-aminoethyl)-5-phenylpyrazolidin-3-one?
The canonical SMILES for 1-(2-aminoethyl)-5-phenylpyrazolidin-3-one is NCCN1NC(=O)CC1c1ccccc1.
What is the InChIKey of 1-(2-aminoethyl)-5-phenylpyrazolidin-3-one?
The InChIKey is QVGLAOSNCZNOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-6-7-14-10(8-11(15)13-14)9-4-2-1-3-5-9/h1-5,10H,6-8,12H2,(H,13,15).
What are the key properties of 1-(2-aminoethyl)-5-phenylpyrazolidin-3-one?
1-(2-aminoethyl)-5-phenylpyrazolidin-3-one has a molecular weight of 205.26 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-5-phenylpyrazolidin-3-one is sourced from PubChem (CID 105457731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).