1-[5-(2,5-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]butan-2-amine

C15H28N4O — CID 63786634

IUPAC1-[5-(2,5-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1c(C)nn(C)c1N1CC(C)OCC1C
InChIInChI=1S/C15H28N4O/c1-6-13(16)7-14-12(4)17-18(5)15(14)19-8-11(3)20-9-10(19)2/h10-11,13H,6-9,16H2,1-5H3
InChIKeyYNMWHZMFXFSFGA-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.62
Rot. Bonds4

About 1-[5-(2,5-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]butan-2-amine

1-[5-(2,5-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]butan-2-amine (PubChem CID 63786634) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-[5-(2,5-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[5-(2,5-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]butan-2-amine
PubChem CID63786634
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name1-[5-(2,5-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1c(C)nn(C)c1N1CC(C)OCC1C
InChIInChI=1S/C15H28N4O/c1-6-13(16)7-14-12(4)17-18(5)15(14)19-8-11(3)20-9-10(19)2/h10-11,13H,6-9,16H2,1-5H3
InChIKeyYNMWHZMFXFSFGA-UHFFFAOYSA-N
XLogP1.62
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]butan-2-amine?
The IUPAC name of 1-[5-(2,5-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]butan-2-amine (CID 63786634) is 1-[5-(2,5-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]butan-2-amine.
What is the SMILES notation for 1-[5-(2,5-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]butan-2-amine?
The canonical SMILES for 1-[5-(2,5-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]butan-2-amine is CCC(N)Cc1c(C)nn(C)c1N1CC(C)OCC1C.
What is the InChIKey of 1-[5-(2,5-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]butan-2-amine?
The InChIKey is YNMWHZMFXFSFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-13(16)7-14-12(4)17-18(5)15(14)19-8-11(3)20-9-10(19)2/h10-11,13H,6-9,16H2,1-5H3.
What are the key properties of 1-[5-(2,5-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]butan-2-amine?
1-[5-(2,5-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]butan-2-amine has a molecular weight of 280.42 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]butan-2-amine is sourced from PubChem (CID 63786634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).