4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]pyrrolidin-2-one

C11H18N4O — CID 106189405

IUPAC4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]pyrrolidin-2-one
SMILESCCn1nc(C)cc1CNC1CNC(=O)C1
InChIInChI=1S/C11H18N4O/c1-3-15-10(4-8(2)14-15)7-12-9-5-11(16)13-6-9/h4,9,12H,3,5-7H2,1-2H3,(H,13,16)
InChIKeyQWENGHYRKPKXPE-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.19
Rot. Bonds4

About 4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]pyrrolidin-2-one

4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]pyrrolidin-2-one (PubChem CID 106189405) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]pyrrolidin-2-one
PubChem CID106189405
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]pyrrolidin-2-one
SMILESCCn1nc(C)cc1CNC1CNC(=O)C1
InChIInChI=1S/C11H18N4O/c1-3-15-10(4-8(2)14-15)7-12-9-5-11(16)13-6-9/h4,9,12H,3,5-7H2,1-2H3,(H,13,16)
InChIKeyQWENGHYRKPKXPE-UHFFFAOYSA-N
XLogP0.19
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 ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]pyrrolidin-2-one
CID 106189404
N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-amine
CID 114545767
4-[(3,5-dimethylphenyl)methylamino]pyrrolidin-2-one
CID 106183258
4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one
CID 106189038
N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66401824
4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pyrrolidin-2-one
CID 106189229
4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one
CID 114154959
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 104665443
4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one
CID 106189037
N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79870930
4-[(4-fluoro-3-methylphenyl)methylamino]pyrrolidin-2-one
CID 106184275
4-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidin-2-one
CID 103952534

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]pyrrolidin-2-one (CID 106189405) is 4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]pyrrolidin-2-one is CCn1nc(C)cc1CNC1CNC(=O)C1.
What is the InChIKey of 4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]pyrrolidin-2-one?
The InChIKey is QWENGHYRKPKXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-15-10(4-8(2)14-15)7-12-9-5-11(16)13-6-9/h4,9,12H,3,5-7H2,1-2H3,(H,13,16).
What are the key properties of 4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]pyrrolidin-2-one?
4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]pyrrolidin-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 106189405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).