1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

C12H16F3N3O3 — CID 102934521

IUPAC1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCC1CN(C(=O)Cn2ccc(C(F)(F)F)n2)CC(CO)O1
InChIInChI=1S/C12H16F3N3O3/c1-8-4-17(5-9(7-19)21-8)11(20)6-18-3-2-10(16-18)12(13,14)15/h2-3,8-9,19H,4-7H2,1H3
InChIKeyXVIQKRCBKKEZKB-UHFFFAOYSA-N
MW307.27 g/mol
LogP0.51
Rot. Bonds3

About 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 102934521) has the molecular formula C12H16F3N3O3 and a molecular weight of 307.27 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
PubChem CID102934521
Molecular FormulaC12H16F3N3O3
Molecular Weight307.27 g/mol
Exact Mass307.11
IUPAC Name1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCC1CN(C(=O)Cn2ccc(C(F)(F)F)n2)CC(CO)O1
InChIInChI=1S/C12H16F3N3O3/c1-8-4-17(5-9(7-19)21-8)11(20)6-18-3-2-10(16-18)12(13,14)15/h2-3,8-9,19H,4-7H2,1H3
InChIKeyXVIQKRCBKKEZKB-UHFFFAOYSA-N
XLogP0.51
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-3-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 94095763
N,N-dimethyl-2-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]acetamide
CID 39948535
1-(2,6-Dimethylmorpholin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 45793812
N-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[2-(trifluoromethyl)morpholin-4-yl]acetamide
CID 56873173
1,5-anhydro-2,3-dideoxy-3-{[(5-methyl-1H-pyrazol-1-yl)acetyl]amino}-D-threo-pentitol
CID 91779822
[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone
CID 121261851
1-[[2-Hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-propan-2-ylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 3600313
1-[(3-Butoxy-2-hydroxypropyl)-propan-2-ylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 3851254
1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 9463991
1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 9463995
Ethyl 4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazine-1-carboxylate
CID 19528093
N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530795

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 102934521) is 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is CC1CN(C(=O)Cn2ccc(C(F)(F)F)n2)CC(CO)O1.
What is the InChIKey of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The InChIKey is XVIQKRCBKKEZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O3/c1-8-4-17(5-9(7-19)21-8)11(20)6-18-3-2-10(16-18)12(13,14)15/h2-3,8-9,19H,4-7H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone has a molecular weight of 307.27 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 102934521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).