1-[2-[(2-pyrazol-1-ylphenyl)methylamino]ethyl]imidazolidin-2-one

C15H19N5O — CID 61166922

IUPAC1-[2-[(2-pyrazol-1-ylphenyl)methylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCc1ccccc1-n1cccn1
InChIInChI=1S/C15H19N5O/c21-15-17-8-11-19(15)10-7-16-12-13-4-1-2-5-14(13)20-9-3-6-18-20/h1-6,9,16H,7-8,10-12H2,(H,17,21)
InChIKeyKNIKZECATUBRGC-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.99
Rot. Bonds6

About 1-[2-[(2-pyrazol-1-ylphenyl)methylamino]ethyl]imidazolidin-2-one

1-[2-[(2-pyrazol-1-ylphenyl)methylamino]ethyl]imidazolidin-2-one (PubChem CID 61166922) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[2-[(2-pyrazol-1-ylphenyl)methylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2-pyrazol-1-ylphenyl)methylamino]ethyl]imidazolidin-2-one
PubChem CID61166922
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-[2-[(2-pyrazol-1-ylphenyl)methylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCc1ccccc1-n1cccn1
InChIInChI=1S/C15H19N5O/c21-15-17-8-11-19(15)10-7-16-12-13-4-1-2-5-14(13)20-9-3-6-18-20/h1-6,9,16H,7-8,10-12H2,(H,17,21)
InChIKeyKNIKZECATUBRGC-UHFFFAOYSA-N
XLogP0.99
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.99
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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-pyrazol-1-ylphenyl)methylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(2-pyrazol-1-ylphenyl)methylamino]ethyl]imidazolidin-2-one (CID 61166922) is 1-[2-[(2-pyrazol-1-ylphenyl)methylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(2-pyrazol-1-ylphenyl)methylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(2-pyrazol-1-ylphenyl)methylamino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNCc1ccccc1-n1cccn1.
What is the InChIKey of 1-[2-[(2-pyrazol-1-ylphenyl)methylamino]ethyl]imidazolidin-2-one?
The InChIKey is KNIKZECATUBRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c21-15-17-8-11-19(15)10-7-16-12-13-4-1-2-5-14(13)20-9-3-6-18-20/h1-6,9,16H,7-8,10-12H2,(H,17,21).
What are the key properties of 1-[2-[(2-pyrazol-1-ylphenyl)methylamino]ethyl]imidazolidin-2-one?
1-[2-[(2-pyrazol-1-ylphenyl)methylamino]ethyl]imidazolidin-2-one has a molecular weight of 285.35 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-pyrazol-1-ylphenyl)methylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 61166922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).