1-[3-(1-aminocyclopropyl)phenyl]-2-methylpyrazolidin-3-one

C13H17N3O — CID 84794584

IUPAC1-[3-(1-aminocyclopropyl)phenyl]-2-methylpyrazolidin-3-one
SMILESCN1C(=O)CCN1c1cccc(C2(N)CC2)c1
InChIInChI=1S/C13H17N3O/c1-15-12(17)5-8-16(15)11-4-2-3-10(9-11)13(14)6-7-13/h2-4,9H,5-8,14H2,1H3
InChIKeyNNQHMJLNGGMJIB-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.22
Rot. Bonds2

About 1-[3-(1-aminocyclopropyl)phenyl]-2-methylpyrazolidin-3-one

1-[3-(1-aminocyclopropyl)phenyl]-2-methylpyrazolidin-3-one (PubChem CID 84794584) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[3-(1-aminocyclopropyl)phenyl]-2-methylpyrazolidin-3-one.

Molecular Properties

Compound Name1-[3-(1-aminocyclopropyl)phenyl]-2-methylpyrazolidin-3-one
PubChem CID84794584
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[3-(1-aminocyclopropyl)phenyl]-2-methylpyrazolidin-3-one
SMILESCN1C(=O)CCN1c1cccc(C2(N)CC2)c1
InChIInChI=1S/C13H17N3O/c1-15-12(17)5-8-16(15)11-4-2-3-10(9-11)13(14)6-7-13/h2-4,9H,5-8,14H2,1H3
InChIKeyNNQHMJLNGGMJIB-UHFFFAOYSA-N
XLogP1.22
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(1-aminocyclopropyl)phenyl]-2-methylpyrazolidin-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminocyclopropyl)phenyl]-2-methylpyrazolidin-3-one?
The IUPAC name of 1-[3-(1-aminocyclopropyl)phenyl]-2-methylpyrazolidin-3-one (CID 84794584) is 1-[3-(1-aminocyclopropyl)phenyl]-2-methylpyrazolidin-3-one.
What is the SMILES notation for 1-[3-(1-aminocyclopropyl)phenyl]-2-methylpyrazolidin-3-one?
The canonical SMILES for 1-[3-(1-aminocyclopropyl)phenyl]-2-methylpyrazolidin-3-one is CN1C(=O)CCN1c1cccc(C2(N)CC2)c1.
What is the InChIKey of 1-[3-(1-aminocyclopropyl)phenyl]-2-methylpyrazolidin-3-one?
The InChIKey is NNQHMJLNGGMJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-15-12(17)5-8-16(15)11-4-2-3-10(9-11)13(14)6-7-13/h2-4,9H,5-8,14H2,1H3.
What are the key properties of 1-[3-(1-aminocyclopropyl)phenyl]-2-methylpyrazolidin-3-one?
1-[3-(1-aminocyclopropyl)phenyl]-2-methylpyrazolidin-3-one has a molecular weight of 231.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminocyclopropyl)phenyl]-2-methylpyrazolidin-3-one is sourced from PubChem (CID 84794584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).