2-(2-amino-2-methylpropyl)-1-cyclopropylpyrazolidin-3-one

C10H19N3O — CID 105450992

IUPAC2-(2-amino-2-methylpropyl)-1-cyclopropylpyrazolidin-3-one
SMILESCC(C)(N)CN1C(=O)CCN1C1CC1
InChIInChI=1S/C10H19N3O/c1-10(2,11)7-13-9(14)5-6-12(13)8-3-4-8/h8H,3-7,11H2,1-2H3
InChIKeyDYSOBFIRNWYRDF-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.34
Rot. Bonds3

About 2-(2-amino-2-methylpropyl)-1-cyclopropylpyrazolidin-3-one

2-(2-amino-2-methylpropyl)-1-cyclopropylpyrazolidin-3-one (PubChem CID 105450992) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropyl)-1-cyclopropylpyrazolidin-3-one.

Molecular Properties

Compound Name2-(2-amino-2-methylpropyl)-1-cyclopropylpyrazolidin-3-one
PubChem CID105450992
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-(2-amino-2-methylpropyl)-1-cyclopropylpyrazolidin-3-one
SMILESCC(C)(N)CN1C(=O)CCN1C1CC1
InChIInChI=1S/C10H19N3O/c1-10(2,11)7-13-9(14)5-6-12(13)8-3-4-8/h8H,3-7,11H2,1-2H3
InChIKeyDYSOBFIRNWYRDF-UHFFFAOYSA-N
XLogP0.34
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropyl)-1-cyclopropylpyrazolidin-3-one?
The IUPAC name of 2-(2-amino-2-methylpropyl)-1-cyclopropylpyrazolidin-3-one (CID 105450992) is 2-(2-amino-2-methylpropyl)-1-cyclopropylpyrazolidin-3-one.
What is the SMILES notation for 2-(2-amino-2-methylpropyl)-1-cyclopropylpyrazolidin-3-one?
The canonical SMILES for 2-(2-amino-2-methylpropyl)-1-cyclopropylpyrazolidin-3-one is CC(C)(N)CN1C(=O)CCN1C1CC1.
What is the InChIKey of 2-(2-amino-2-methylpropyl)-1-cyclopropylpyrazolidin-3-one?
The InChIKey is DYSOBFIRNWYRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-10(2,11)7-13-9(14)5-6-12(13)8-3-4-8/h8H,3-7,11H2,1-2H3.
What are the key properties of 2-(2-amino-2-methylpropyl)-1-cyclopropylpyrazolidin-3-one?
2-(2-amino-2-methylpropyl)-1-cyclopropylpyrazolidin-3-one has a molecular weight of 197.28 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropyl)-1-cyclopropylpyrazolidin-3-one is sourced from PubChem (CID 105450992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).