1-[(2S)-2-ethylmorpholin-4-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

C16H26N4O2 — CID 95977738

IUPAC1-[(2S)-2-ethylmorpholin-4-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCC[C@H]1CN(C(=O)CN2CCC[C@@H]2c2cnn(C)c2)CCO1
InChIInChI=1S/C16H26N4O2/c1-3-14-11-20(7-8-22-14)16(21)12-19-6-4-5-15(19)13-9-17-18(2)10-13/h9-10,14-15H,3-8,11-12H2,1-2H3/t14-,15+/m0/s1
InChIKeyLWOMNJOTWQXISW-LSDHHAIUSA-N
MW306.41 g/mol
LogP1.19
Rot. Bonds4

About 1-[(2S)-2-ethylmorpholin-4-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

1-[(2S)-2-ethylmorpholin-4-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (PubChem CID 95977738) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[(2S)-2-ethylmorpholin-4-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-ethylmorpholin-4-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
PubChem CID95977738
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-[(2S)-2-ethylmorpholin-4-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCC[C@H]1CN(C(=O)CN2CCC[C@@H]2c2cnn(C)c2)CCO1
InChIInChI=1S/C16H26N4O2/c1-3-14-11-20(7-8-22-14)16(21)12-19-6-4-5-15(19)13-9-17-18(2)10-13/h9-10,14-15H,3-8,11-12H2,1-2H3/t14-,15+/m0/s1
InChIKeyLWOMNJOTWQXISW-LSDHHAIUSA-N
XLogP1.19
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-ethylmorpholin-4-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-ethylmorpholin-4-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (CID 95977738) is 1-[(2S)-2-ethylmorpholin-4-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-ethylmorpholin-4-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-ethylmorpholin-4-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is CC[C@H]1CN(C(=O)CN2CCC[C@@H]2c2cnn(C)c2)CCO1.
What is the InChIKey of 1-[(2S)-2-ethylmorpholin-4-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is LWOMNJOTWQXISW-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-14-11-20(7-8-22-14)16(21)12-19-6-4-5-15(19)13-9-17-18(2)10-13/h9-10,14-15H,3-8,11-12H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of 1-[(2S)-2-ethylmorpholin-4-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
1-[(2S)-2-ethylmorpholin-4-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 306.41 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-ethylmorpholin-4-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95977738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).