N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide

C13H21N5O3 — CID 126451107

IUPACN-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
SMILESCOC[C@H](NC(=O)CN1CCN(C)C1=O)c1ccnn1C
InChIInChI=1S/C13H21N5O3/c1-16-6-7-18(13(16)20)8-12(19)15-10(9-21-3)11-4-5-14-17(11)2/h4-5,10H,6-9H2,1-3H3,(H,15,19)/t10-/m0/s1
InChIKeyQQEPLZCIMBFVNH-JTQLQIEISA-N
MW295.34 g/mol
LogP-0.41
Rot. Bonds6

About N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide

N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide (PubChem CID 126451107) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
PubChem CID126451107
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC NameN-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
SMILESCOC[C@H](NC(=O)CN1CCN(C)C1=O)c1ccnn1C
InChIInChI=1S/C13H21N5O3/c1-16-6-7-18(13(16)20)8-12(19)15-10(9-21-3)11-4-5-14-17(11)2/h4-5,10H,6-9H2,1-3H3,(H,15,19)/t10-/m0/s1
InChIKeyQQEPLZCIMBFVNH-JTQLQIEISA-N
XLogP-0.41
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide (CID 126451107) is N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide is COC[C@H](NC(=O)CN1CCN(C)C1=O)c1ccnn1C.
What is the InChIKey of N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide?
The InChIKey is QQEPLZCIMBFVNH-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N5O3/c1-16-6-7-18(13(16)20)8-12(19)15-10(9-21-3)11-4-5-14-17(11)2/h4-5,10H,6-9H2,1-3H3,(H,15,19)/t10-/m0/s1.
What are the key properties of N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide?
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide has a molecular weight of 295.34 g/mol, XLogP of -0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 126451107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).