1-propan-2-yl-3-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]pyrrolidin-2-one

C16H21N5O — CID 71972989

IUPAC1-propan-2-yl-3-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]pyrrolidin-2-one
SMILESCC(C)N1CCC(Nc2ccn(Cc3ccccn3)n2)C1=O
InChIInChI=1S/C16H21N5O/c1-12(2)21-10-6-14(16(21)22)18-15-7-9-20(19-15)11-13-5-3-4-8-17-13/h3-5,7-9,12,14H,6,10-11H2,1-2H3,(H,18,19)
InChIKeyMDZSSKHOWWTKGQ-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.75
Rot. Bonds5

About 1-propan-2-yl-3-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]pyrrolidin-2-one

1-propan-2-yl-3-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]pyrrolidin-2-one (PubChem CID 71972989) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-propan-2-yl-3-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]pyrrolidin-2-one
PubChem CID71972989
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-propan-2-yl-3-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]pyrrolidin-2-one
SMILESCC(C)N1CCC(Nc2ccn(Cc3ccccn3)n2)C1=O
InChIInChI=1S/C16H21N5O/c1-12(2)21-10-6-14(16(21)22)18-15-7-9-20(19-15)11-13-5-3-4-8-17-13/h3-5,7-9,12,14H,6,10-11H2,1-2H3,(H,18,19)
InChIKeyMDZSSKHOWWTKGQ-UHFFFAOYSA-N
XLogP1.75
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-propan-2-yl-3-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]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 1-propan-2-yl-3-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]pyrrolidin-2-one?
The IUPAC name of 1-propan-2-yl-3-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]pyrrolidin-2-one (CID 71972989) is 1-propan-2-yl-3-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-propan-2-yl-3-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-propan-2-yl-3-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]pyrrolidin-2-one is CC(C)N1CCC(Nc2ccn(Cc3ccccn3)n2)C1=O.
What is the InChIKey of 1-propan-2-yl-3-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]pyrrolidin-2-one?
The InChIKey is MDZSSKHOWWTKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12(2)21-10-6-14(16(21)22)18-15-7-9-20(19-15)11-13-5-3-4-8-17-13/h3-5,7-9,12,14H,6,10-11H2,1-2H3,(H,18,19).
What are the key properties of 1-propan-2-yl-3-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]pyrrolidin-2-one?
1-propan-2-yl-3-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]pyrrolidin-2-one has a molecular weight of 299.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 71972989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).