3-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one

C8H12N4O — CID 54594097

IUPAC3-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one
SMILESCn1ccc(N2CCC(N)C2=O)n1
InChIInChI=1S/C8H12N4O/c1-11-4-3-7(10-11)12-5-2-6(9)8(12)13/h3-4,6H,2,5,9H2,1H3
InChIKeyZDAJYANVWRSSAH-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.52
Rot. Bonds1

About 3-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one

3-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one (PubChem CID 54594097) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one
PubChem CID54594097
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name3-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one
SMILESCn1ccc(N2CCC(N)C2=O)n1
InChIInChI=1S/C8H12N4O/c1-11-4-3-7(10-11)12-5-2-6(9)8(12)13/h3-4,6H,2,5,9H2,1H3
InChIKeyZDAJYANVWRSSAH-UHFFFAOYSA-N
XLogP-0.52
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-2-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 3-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 3-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one (CID 54594097) is 3-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one is Cn1ccc(N2CCC(N)C2=O)n1.
What is the InChIKey of 3-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is ZDAJYANVWRSSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-11-4-3-7(10-11)12-5-2-6(9)8(12)13/h3-4,6H,2,5,9H2,1H3.
What are the key properties of 3-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one?
3-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 180.21 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 54594097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).