(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propan-2-ol

C15H28N4O2 — CID 98758880

IUPAC(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propan-2-ol
SMILESC[C@H](Cn1cccn1)NC[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H28N4O2/c1-12(8-19-6-4-5-17-19)16-7-15(20)11-18-9-13(2)21-14(3)10-18/h4-6,12-16,20H,7-11H2,1-3H3/t12-,13-,14+,15+/m1/s1
InChIKeyOMFURVZQMZMTDF-KBXIAJHMSA-N
MW296.41 g/mol
LogP0.33
Rot. Bonds7

About (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propan-2-ol

(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propan-2-ol (PubChem CID 98758880) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propan-2-ol
PubChem CID98758880
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Name(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propan-2-ol
SMILESC[C@H](Cn1cccn1)NC[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H28N4O2/c1-12(8-19-6-4-5-17-19)16-7-15(20)11-18-9-13(2)21-14(3)10-18/h4-6,12-16,20H,7-11H2,1-3H3/t12-,13-,14+,15+/m1/s1
InChIKeyOMFURVZQMZMTDF-KBXIAJHMSA-N
XLogP0.33
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propan-2-ol with MolForge

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Related Compounds

Morpholine, 2-(1H-pyrazol-1-ylmethyl)-
CID 54592633
N-(2-acetamidoethyl)-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 53599673
3-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-2-amine
CID 72043621
1-(4-Cyclopentyl-3-methylpiperazin-1-yl)-3-pyrazol-1-ylpropan-2-ol
CID 132394265
4-(2-(1H-Pyrazol-1-YL)ethyl)morpholine
CID 46739602
1-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 53524069
1-Pyrazol-1-yl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
CID 63828240
1,1,1-Trifluoro-3-(1-pyrazol-1-ylpropan-2-ylamino)propan-2-ol
CID 63900451
(2S,3R)-3-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-2-amine
CID 95979391
(2R,3R)-3-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-2-amine
CID 95979394
(2S,3S)-3-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-2-amine
CID 95979395
(2R,3S)-3-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-2-amine
CID 95979396

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propan-2-ol (CID 98758880) is (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propan-2-ol is C[C@H](Cn1cccn1)NC[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propan-2-ol?
The InChIKey is OMFURVZQMZMTDF-KBXIAJHMSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-12(8-19-6-4-5-17-19)16-7-15(20)11-18-9-13(2)21-14(3)10-18/h4-6,12-16,20H,7-11H2,1-3H3/t12-,13-,14+,15+/m1/s1.
What are the key properties of (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propan-2-ol?
(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propan-2-ol has a molecular weight of 296.41 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propan-2-ol is sourced from PubChem (CID 98758880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).