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

C12H20N4O — CID 113239717

IUPAC1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-2-one
SMILESCC(C)n1cc(CNC2CCN(C)C2=O)cn1
InChIInChI=1S/C12H20N4O/c1-9(2)16-8-10(7-14-16)6-13-11-4-5-15(3)12(11)17/h7-9,11,13H,4-6H2,1-3H3
InChIKeyLFOUDTMELKIZFS-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.78
Rot. Bonds4

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

1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-2-one (PubChem CID 113239717) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-2-one
PubChem CID113239717
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-2-one
SMILESCC(C)n1cc(CNC2CCN(C)C2=O)cn1
InChIInChI=1S/C12H20N4O/c1-9(2)16-8-10(7-14-16)6-13-11-4-5-15(3)12(11)17/h7-9,11,13H,4-6H2,1-3H3
InChIKeyLFOUDTMELKIZFS-UHFFFAOYSA-N
XLogP0.78
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopropan-1-amine
CID 115623028
N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
CID 115696399
N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclohex-2-en-1-amine
CID 115693401
2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 115623017
1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 115622994
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 114075415
3-(1H-indol-6-ylmethylamino)-1-methylpyrrolidin-2-one
CID 106252596
2-methyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]propanenitrile
CID 106256838
2-methoxy-4-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzonitrile
CID 106257106
1-methyl-3-[(1-propylimidazol-2-yl)methylamino]pyrrolidin-2-one
CID 114164351
4-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 106468068

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-2-one (CID 113239717) is 1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-2-one is CC(C)n1cc(CNC2CCN(C)C2=O)cn1.
What is the InChIKey of 1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
The InChIKey is LFOUDTMELKIZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(2)16-8-10(7-14-16)6-13-11-4-5-15(3)12(11)17/h7-9,11,13H,4-6H2,1-3H3.
What are the key properties of 1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 113239717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).