(2R)-1-(2,2-dimethylmorpholin-4-yl)-2-(methylamino)-2-(1-methylpyrazol-4-yl)ethanone

C13H22N4O2 — CID 164633430

IUPAC(2R)-1-(2,2-dimethylmorpholin-4-yl)-2-(methylamino)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCN[C@@H](C(=O)N1CCOC(C)(C)C1)c1cnn(C)c1
InChIInChI=1S/C13H22N4O2/c1-13(2)9-17(5-6-19-13)12(18)11(14-3)10-7-15-16(4)8-10/h7-8,11,14H,5-6,9H2,1-4H3/t11-/m1/s1
InChIKeyXIMOPZBZHCRCDV-LLVKDONJSA-N
MW266.34 g/mol
LogP0.32
Rot. Bonds3

About (2R)-1-(2,2-dimethylmorpholin-4-yl)-2-(methylamino)-2-(1-methylpyrazol-4-yl)ethanone

(2R)-1-(2,2-dimethylmorpholin-4-yl)-2-(methylamino)-2-(1-methylpyrazol-4-yl)ethanone (PubChem CID 164633430) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2R)-1-(2,2-dimethylmorpholin-4-yl)-2-(methylamino)-2-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name(2R)-1-(2,2-dimethylmorpholin-4-yl)-2-(methylamino)-2-(1-methylpyrazol-4-yl)ethanone
PubChem CID164633430
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(2R)-1-(2,2-dimethylmorpholin-4-yl)-2-(methylamino)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCN[C@@H](C(=O)N1CCOC(C)(C)C1)c1cnn(C)c1
InChIInChI=1S/C13H22N4O2/c1-13(2)9-17(5-6-19-13)12(18)11(14-3)10-7-15-16(4)8-10/h7-8,11,14H,5-6,9H2,1-4H3/t11-/m1/s1
InChIKeyXIMOPZBZHCRCDV-LLVKDONJSA-N
XLogP0.32
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,2-dimethylmorpholin-4-yl)-2-(methylamino)-2-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of (2R)-1-(2,2-dimethylmorpholin-4-yl)-2-(methylamino)-2-(1-methylpyrazol-4-yl)ethanone (CID 164633430) is (2R)-1-(2,2-dimethylmorpholin-4-yl)-2-(methylamino)-2-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for (2R)-1-(2,2-dimethylmorpholin-4-yl)-2-(methylamino)-2-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for (2R)-1-(2,2-dimethylmorpholin-4-yl)-2-(methylamino)-2-(1-methylpyrazol-4-yl)ethanone is CN[C@@H](C(=O)N1CCOC(C)(C)C1)c1cnn(C)c1.
What is the InChIKey of (2R)-1-(2,2-dimethylmorpholin-4-yl)-2-(methylamino)-2-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is XIMOPZBZHCRCDV-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(2)9-17(5-6-19-13)12(18)11(14-3)10-7-15-16(4)8-10/h7-8,11,14H,5-6,9H2,1-4H3/t11-/m1/s1.
What are the key properties of (2R)-1-(2,2-dimethylmorpholin-4-yl)-2-(methylamino)-2-(1-methylpyrazol-4-yl)ethanone?
(2R)-1-(2,2-dimethylmorpholin-4-yl)-2-(methylamino)-2-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 266.34 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,2-dimethylmorpholin-4-yl)-2-(methylamino)-2-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 164633430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).