4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one

C11H18N4O — CID 106189037

IUPAC4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one
SMILESCC(C)n1ccc(CNC2CNC(=O)C2)n1
InChIInChI=1S/C11H18N4O/c1-8(2)15-4-3-9(14-15)6-12-10-5-11(16)13-7-10/h3-4,8,10,12H,5-7H2,1-2H3,(H,13,16)
InChIKeyCSNMDLSFVJQJDU-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.44
Rot. Bonds4

About 4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one

4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one (PubChem CID 106189037) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one
PubChem CID106189037
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one
SMILESCC(C)n1ccc(CNC2CNC(=O)C2)n1
InChIInChI=1S/C11H18N4O/c1-8(2)15-4-3-9(14-15)6-12-10-5-11(16)13-7-10/h3-4,8,10,12H,5-7H2,1-2H3,(H,13,16)
InChIKeyCSNMDLSFVJQJDU-UHFFFAOYSA-N
XLogP0.44
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one (CID 106189037) is 4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one is CC(C)n1ccc(CNC2CNC(=O)C2)n1.
What is the InChIKey of 4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one?
The InChIKey is CSNMDLSFVJQJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8(2)15-4-3-9(14-15)6-12-10-5-11(16)13-7-10/h3-4,8,10,12H,5-7H2,1-2H3,(H,13,16).
What are the key properties of 4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one?
4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 106189037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).