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

C12H20N4O — CID 106257250

IUPAC3-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-1-methylpyrrolidin-2-one
SMILESCCc1cc(CNC2CCN(C)C2=O)n(C)n1
InChIInChI=1S/C12H20N4O/c1-4-9-7-10(16(3)14-9)8-13-11-5-6-15(2)12(11)17/h7,11,13H,4-6,8H2,1-3H3
InChIKeyWVYFGLSOXSFNLL-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.30
Rot. Bonds4

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

3-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-1-methylpyrrolidin-2-one (PubChem CID 106257250) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-1-methylpyrrolidin-2-one
PubChem CID106257250
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-1-methylpyrrolidin-2-one
SMILESCCc1cc(CNC2CCN(C)C2=O)n(C)n1
InChIInChI=1S/C12H20N4O/c1-4-9-7-10(16(3)14-9)8-13-11-5-6-15(2)12(11)17/h7,11,13H,4-6,8H2,1-3H3
InChIKeyWVYFGLSOXSFNLL-UHFFFAOYSA-N
XLogP0.30
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 ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidin-2-one
CID 79501211
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79870277
1-methyl-3-[(1-propylimidazol-2-yl)methylamino]pyrrolidin-2-one
CID 114164351
1-methyl-3-(2-methylidenebutylamino)pyrrolidin-2-one
CID 106256749
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpyrrolidin-2-one
CID 106253571
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]morpholin-4-amine
CID 83021388
4-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzoic acid
CID 106252963
3-[(2-aminophenyl)methylamino]-1-methylpyrrolidin-2-one
CID 106252839
3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrrolidin-2-one
CID 103739369
2-(cyclopropylmethoxy)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114097894
[2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine
CID 81009696
2-chloro-6-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 106253688

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-1-methylpyrrolidin-2-one (CID 106257250) is 3-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-1-methylpyrrolidin-2-one is CCc1cc(CNC2CCN(C)C2=O)n(C)n1.
What is the InChIKey of 3-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-1-methylpyrrolidin-2-one?
The InChIKey is WVYFGLSOXSFNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-9-7-10(16(3)14-9)8-13-11-5-6-15(2)12(11)17/h7,11,13H,4-6,8H2,1-3H3.
What are the key properties of 3-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-1-methylpyrrolidin-2-one?
3-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-1-methylpyrrolidin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106257250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).