1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone

C16H23N5O2 — CID 124957810

IUPAC1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
SMILESCc1cn(C)c([C@@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)n1
InChIInChI=1S/C16H23N5O2/c1-10-8-20(4)16(17-10)14-9-21(5-6-23-14)15(22)7-13-11(2)18-19-12(13)3/h8,14H,5-7,9H2,1-4H3,(H,18,19)/t14-/m0/s1
InChIKeyGBMXHYBMGNGTNM-AWEZNQCLSA-N
MW317.39 g/mol
LogP1.21
Rot. Bonds3

About 1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone

1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone (PubChem CID 124957810) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
PubChem CID124957810
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
SMILESCc1cn(C)c([C@@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)n1
InChIInChI=1S/C16H23N5O2/c1-10-8-20(4)16(17-10)14-9-21(5-6-23-14)15(22)7-13-11(2)18-19-12(13)3/h8,14H,5-7,9H2,1-4H3,(H,18,19)/t14-/m0/s1
InChIKeyGBMXHYBMGNGTNM-AWEZNQCLSA-N
XLogP1.21
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 110105066
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 124959140
1-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 124982478
1-[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 124968411
3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]propan-1-one
CID 124960798
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone
CID 110105018
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 71700852
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)propan-1-one
CID 110102568
[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 124940324
1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 125010039
1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-1-one
CID 124989348
[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 124988619

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
The IUPAC name of 1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone (CID 124957810) is 1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone.
What is the SMILES notation for 1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
The canonical SMILES for 1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone is Cc1cn(C)c([C@@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)n1.
What is the InChIKey of 1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
The InChIKey is GBMXHYBMGNGTNM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-10-8-20(4)16(17-10)14-9-21(5-6-23-14)15(22)7-13-11(2)18-19-12(13)3/h8,14H,5-7,9H2,1-4H3,(H,18,19)/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone has a molecular weight of 317.39 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone is sourced from PubChem (CID 124957810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).