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

C11H19N5O2 — CID 114255765

IUPAC1-[2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]ethyl]imidazolidin-2-one
SMILESCOc1cc(CNCCN2CCNC2=O)nn1C
InChIInChI=1S/C11H19N5O2/c1-15-10(18-2)7-9(14-15)8-12-3-5-16-6-4-13-11(16)17/h7,12H,3-6,8H2,1-2H3,(H,13,17)
InChIKeyXIQLOHTZSUSIAP-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.46
Rot. Bonds6

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

1-[2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]ethyl]imidazolidin-2-one (PubChem CID 114255765) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]ethyl]imidazolidin-2-one
PubChem CID114255765
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name1-[2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]ethyl]imidazolidin-2-one
SMILESCOc1cc(CNCCN2CCNC2=O)nn1C
InChIInChI=1S/C11H19N5O2/c1-15-10(18-2)7-9(14-15)8-12-3-5-16-6-4-13-11(16)17/h7,12H,3-6,8H2,1-2H3,(H,13,17)
InChIKeyXIQLOHTZSUSIAP-UHFFFAOYSA-N
XLogP-0.46
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]ethyl]imidazolidin-2-one (CID 114255765) is 1-[2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]ethyl]imidazolidin-2-one is COc1cc(CNCCN2CCNC2=O)nn1C.
What is the InChIKey of 1-[2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]ethyl]imidazolidin-2-one?
The InChIKey is XIQLOHTZSUSIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-15-10(18-2)7-9(14-15)8-12-3-5-16-6-4-13-11(16)17/h7,12H,3-6,8H2,1-2H3,(H,13,17).
What are the key properties of 1-[2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]ethyl]imidazolidin-2-one?
1-[2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]ethyl]imidazolidin-2-one has a molecular weight of 253.31 g/mol, XLogP of -0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 114255765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).