1-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethyl]imidazolidin-2-one

C11H19N5O — CID 112669012

IUPAC1-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethyl]imidazolidin-2-one
SMILESCc1nn(C)cc1CNCCN1CCNC1=O
InChIInChI=1S/C11H19N5O/c1-9-10(8-15(2)14-9)7-12-3-5-16-6-4-13-11(16)17/h8,12H,3-7H2,1-2H3,(H,13,17)
InChIKeyMWEYXFYDMYLWBF-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.16
Rot. Bonds5

About 1-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethyl]imidazolidin-2-one

1-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethyl]imidazolidin-2-one (PubChem CID 112669012) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethyl]imidazolidin-2-one
PubChem CID112669012
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethyl]imidazolidin-2-one
SMILESCc1nn(C)cc1CNCCN1CCNC1=O
InChIInChI=1S/C11H19N5O/c1-9-10(8-15(2)14-9)7-12-3-5-16-6-4-13-11(16)17/h8,12H,3-7H2,1-2H3,(H,13,17)
InChIKeyMWEYXFYDMYLWBF-UHFFFAOYSA-N
XLogP-0.16
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]imidazolidin-2-one
CID 61282388
3-[(1,3-dimethylpyrazol-4-yl)methylamino]propanenitrile
CID 83085525
1-[2-[(2-pyrazol-1-ylphenyl)methylamino]ethyl]imidazolidin-2-one
CID 61166922
N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpropane-1,3-diamine
CID 102801492
1-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]imidazolidin-2-one
CID 63363032
1-[2-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methylamino]ethyl]imidazolidin-2-one
CID 28734589
N-[(1,3-dimethylpyrazol-4-yl)methyl]decan-1-amine
CID 83089811
1-[2-[(4-chlorophenyl)methylamino]ethyl]imidazolidin-2-one
CID 28738658
4-[(1,3-dimethylpyrazol-4-yl)methylamino]butanoic acid
CID 83088801
2-cyclobutyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115768183
1-[2-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]imidazolidin-2-one
CID 106399247
1-[2-[3-(dimethylamino)propylamino]ethyl]imidazolidin-2-one
CID 28583715

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethyl]imidazolidin-2-one (CID 112669012) is 1-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethyl]imidazolidin-2-one is Cc1nn(C)cc1CNCCN1CCNC1=O.
What is the InChIKey of 1-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethyl]imidazolidin-2-one?
The InChIKey is MWEYXFYDMYLWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-9-10(8-15(2)14-9)7-12-3-5-16-6-4-13-11(16)17/h8,12H,3-7H2,1-2H3,(H,13,17).
What are the key properties of 1-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethyl]imidazolidin-2-one?
1-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethyl]imidazolidin-2-one has a molecular weight of 237.31 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 112669012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).