2-(1H-pyrazol-5-yl)-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]ethanone

C12H19N3O2 — CID 164643458

IUPAC2-(1H-pyrazol-5-yl)-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]ethanone
SMILESC[C@H]1CN(C(=O)Cc2ccn[nH]2)C(C)(C)CO1
InChIInChI=1S/C12H19N3O2/c1-9-7-15(12(2,3)8-17-9)11(16)6-10-4-5-13-14-10/h4-5,9H,6-8H2,1-3H3,(H,13,14)/t9-/m0/s1
InChIKeyMDILCUILNZUAQZ-VIFPVBQESA-N
MW237.30 g/mol
LogP0.98
Rot. Bonds2

About 2-(1H-pyrazol-5-yl)-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]ethanone

2-(1H-pyrazol-5-yl)-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]ethanone (PubChem CID 164643458) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]ethanone
PubChem CID164643458
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(1H-pyrazol-5-yl)-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]ethanone
SMILESC[C@H]1CN(C(=O)Cc2ccn[nH]2)C(C)(C)CO1
InChIInChI=1S/C12H19N3O2/c1-9-7-15(12(2,3)8-17-9)11(16)6-10-4-5-13-14-10/h4-5,9H,6-8H2,1-3H3,(H,13,14)/t9-/m0/s1
InChIKeyMDILCUILNZUAQZ-VIFPVBQESA-N
XLogP0.98
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-yl)-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(1H-pyrazol-5-yl)-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]ethanone (CID 164643458) is 2-(1H-pyrazol-5-yl)-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(1H-pyrazol-5-yl)-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]ethanone is C[C@H]1CN(C(=O)Cc2ccn[nH]2)C(C)(C)CO1.
What is the InChIKey of 2-(1H-pyrazol-5-yl)-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]ethanone?
The InChIKey is MDILCUILNZUAQZ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-7-15(12(2,3)8-17-9)11(16)6-10-4-5-13-14-10/h4-5,9H,6-8H2,1-3H3,(H,13,14)/t9-/m0/s1.
What are the key properties of 2-(1H-pyrazol-5-yl)-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]ethanone?
2-(1H-pyrazol-5-yl)-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]ethanone has a molecular weight of 237.30 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-yl)-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 164643458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).