2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]ethanone

C18H23N3O3 — CID 134714534

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)n1
InChIInChI=1S/C18H23N3O3/c1-13-10-14(2)21(19-13)11-17(23)20-8-9-24-16(12-22)18(20)15-6-4-3-5-7-15/h3-7,10,16,18,22H,8-9,11-12H2,1-2H3/t16-,18-/m1/s1
InChIKeyUGJIIVYFIVJISZ-SJLPKXTDSA-N
MW329.40 g/mol
LogP1.46
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]ethanone (PubChem CID 134714534) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]ethanone
PubChem CID134714534
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)n1
InChIInChI=1S/C18H23N3O3/c1-13-10-14(2)21(19-13)11-17(23)20-8-9-24-16(12-22)18(20)15-6-4-3-5-7-15/h3-7,10,16,18,22H,8-9,11-12H2,1-2H3/t16-,18-/m1/s1
InChIKeyUGJIIVYFIVJISZ-SJLPKXTDSA-N
XLogP1.46
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone
CID 154821755
1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 134708065
N-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]acetamide
CID 134695894
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]ethanone
CID 155495820
(2,6-dimethyl-3-pyridinyl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
CID 134712913
2-[cyclopentyl(methyl)amino]-1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]ethanone
CID 134704253
3-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]-1,1-dimethylurea
CID 134714041
1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one
CID 134712444
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone
CID 124961259
(2-fluoro-6-methylphenyl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
CID 155916065
1-[4-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one
CID 134704218
1-[(2S,3R)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 134697404

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]ethanone (CID 134714534) is 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]ethanone is Cc1cc(C)n(CC(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]ethanone?
The InChIKey is UGJIIVYFIVJISZ-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-10-14(2)21(19-13)11-17(23)20-8-9-24-16(12-22)18(20)15-6-4-3-5-7-15/h3-7,10,16,18,22H,8-9,11-12H2,1-2H3/t16-,18-/m1/s1.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]ethanone has a molecular weight of 329.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]ethanone is sourced from PubChem (CID 134714534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).