3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1-methylpyrrolidin-2-one

C11H18N4O2 — CID 114255756

IUPAC3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1-methylpyrrolidin-2-one
SMILESCOc1cc(CNC2CCN(C)C2=O)nn1C
InChIInChI=1S/C11H18N4O2/c1-14-5-4-9(11(14)16)12-7-8-6-10(17-3)15(2)13-8/h6,9,12H,4-5,7H2,1-3H3
InChIKeyGLBDTWCSUPLTMQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.25
Rot. Bonds4

About 3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1-methylpyrrolidin-2-one

3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1-methylpyrrolidin-2-one (PubChem CID 114255756) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1-methylpyrrolidin-2-one
PubChem CID114255756
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1-methylpyrrolidin-2-one
SMILESCOc1cc(CNC2CCN(C)C2=O)nn1C
InChIInChI=1S/C11H18N4O2/c1-14-5-4-9(11(14)16)12-7-8-6-10(17-3)15(2)13-8/h6,9,12H,4-5,7H2,1-3H3
InChIKeyGLBDTWCSUPLTMQ-UHFFFAOYSA-N
XLogP-0.25
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1-methylpyrrolidin-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-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1-methylpyrrolidin-2-one (CID 114255756) is 3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1-methylpyrrolidin-2-one is COc1cc(CNC2CCN(C)C2=O)nn1C.
What is the InChIKey of 3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1-methylpyrrolidin-2-one?
The InChIKey is GLBDTWCSUPLTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-14-5-4-9(11(14)16)12-7-8-6-10(17-3)15(2)13-8/h6,9,12H,4-5,7H2,1-3H3.
What are the key properties of 3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1-methylpyrrolidin-2-one?
3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1-methylpyrrolidin-2-one has a molecular weight of 238.29 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 114255756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).