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

C11H14F3N3O2 — CID 51078093

IUPAC1-(3-methylmorpholin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCC1COCCN1C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O2/c1-8-7-19-5-4-17(8)10(18)6-16-3-2-9(15-16)11(12,13)14/h2-3,8H,4-7H2,1H3
InChIKeyIHWVDPUKPLKKMT-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.15
Rot. Bonds2

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

1-(3-methylmorpholin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 51078093) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-(3-methylmorpholin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(3-methylmorpholin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
PubChem CID51078093
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name1-(3-methylmorpholin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCC1COCCN1C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O2/c1-8-7-19-5-4-17(8)10(18)6-16-3-2-9(15-16)11(12,13)14/h2-3,8H,4-7H2,1H3
InChIKeyIHWVDPUKPLKKMT-UHFFFAOYSA-N
XLogP1.15
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinylidene]piperidine-1-carboxylate
CID 3608528
(1-methyl-1H-pyrazol-5-yl)(morpholino)methanone
CID 6469888
2-(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-1-morpholin-4-yl-ethanone
CID 673378
(1-Ethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 1225789
Ethyl 2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate
CID 2064143
1-[(3S)-3-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 94095763
4-[(1-propionyl-1H-pyrazol-3-yl)carbonyl]morpholine
CID 754448
4-[1-[(2-Methylpyrazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one
CID 134790541
2-(4-bromo-5-methyl-1H-pyrazol-1-yl)-1-(morpholin-4-yl)ethanone
CID 19575596
1-Pyrrolidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 39891875
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylmorpholin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-(3-methylmorpholin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 51078093) is 1-(3-methylmorpholin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-(3-methylmorpholin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-(3-methylmorpholin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is CC1COCCN1C(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-(3-methylmorpholin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The InChIKey is IHWVDPUKPLKKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-8-7-19-5-4-17(8)10(18)6-16-3-2-9(15-16)11(12,13)14/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-(3-methylmorpholin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
1-(3-methylmorpholin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone has a molecular weight of 277.25 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylmorpholin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 51078093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).