2-(1-propan-2-ylpyrazol-3-yl)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone

C17H26N6O2 — CID 96512700

IUPAC2-(1-propan-2-ylpyrazol-3-yl)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone
SMILESCC(C)c1n[nH]c([C@H]2CN(C(=O)Cc3ccn(C(C)C)n3)CCO2)n1
InChIInChI=1S/C17H26N6O2/c1-11(2)16-18-17(20-19-16)14-10-22(7-8-25-14)15(24)9-13-5-6-23(21-13)12(3)4/h5-6,11-12,14H,7-10H2,1-4H3,(H,18,19,20)/t14-/m1/s1
InChIKeyHMKDSIOHRRASOK-CQSZACIVSA-N
MW346.44 g/mol
LogP1.85
Rot. Bonds5

About 2-(1-propan-2-ylpyrazol-3-yl)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone

2-(1-propan-2-ylpyrazol-3-yl)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone (PubChem CID 96512700) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 2-(1-propan-2-ylpyrazol-3-yl)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(1-propan-2-ylpyrazol-3-yl)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone
PubChem CID96512700
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name2-(1-propan-2-ylpyrazol-3-yl)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone
SMILESCC(C)c1n[nH]c([C@H]2CN(C(=O)Cc3ccn(C(C)C)n3)CCO2)n1
InChIInChI=1S/C17H26N6O2/c1-11(2)16-18-17(20-19-16)14-10-22(7-8-25-14)15(24)9-13-5-6-23(21-13)12(3)4/h5-6,11-12,14H,7-10H2,1-4H3,(H,18,19,20)/t14-/m1/s1
InChIKeyHMKDSIOHRRASOK-CQSZACIVSA-N
XLogP1.85
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1-propan-2-ylpyrazol-3-yl)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-(4-fluorophenoxy)-1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone
CID 71928752
(3R)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyrrol-1-ylbutan-1-one
CID 96511727
(3S)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyrrol-1-ylbutan-1-one
CID 96511729
3-imidazol-1-yl-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one
CID 96511815
6-methyl-2-[2-oxo-2-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]pyridazin-3-one
CID 96511755
1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one
CID 71872857
2-[(2R)-oxolan-2-yl]-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone
CID 96511705
1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 96511733
(2R)-2-imidazol-1-yl-1-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one
CID 96511760
(2S)-2-imidazol-1-yl-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one
CID 96511763
(5-ethyl-1,3-oxazol-4-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96511796
imidazo[1,2-a]pyrazin-8-yl-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96512697

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpyrazol-3-yl)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(1-propan-2-ylpyrazol-3-yl)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone (CID 96512700) is 2-(1-propan-2-ylpyrazol-3-yl)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(1-propan-2-ylpyrazol-3-yl)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(1-propan-2-ylpyrazol-3-yl)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone is CC(C)c1n[nH]c([C@H]2CN(C(=O)Cc3ccn(C(C)C)n3)CCO2)n1.
What is the InChIKey of 2-(1-propan-2-ylpyrazol-3-yl)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone?
The InChIKey is HMKDSIOHRRASOK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-11(2)16-18-17(20-19-16)14-10-22(7-8-25-14)15(24)9-13-5-6-23(21-13)12(3)4/h5-6,11-12,14H,7-10H2,1-4H3,(H,18,19,20)/t14-/m1/s1.
What are the key properties of 2-(1-propan-2-ylpyrazol-3-yl)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone?
2-(1-propan-2-ylpyrazol-3-yl)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone has a molecular weight of 346.44 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpyrazol-3-yl)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 96512700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).