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

C11H14F3N3O3 — CID 81208798

IUPAC1-[2-(hydroxymethyl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESO=C(Cn1ccc(C(F)(F)F)n1)N1CCOC(CO)C1
InChIInChI=1S/C11H14F3N3O3/c12-11(13,14)9-1-2-17(15-9)6-10(19)16-3-4-20-8(5-16)7-18/h1-2,8,18H,3-7H2
InChIKeyMIBWTEHERHMZRE-UHFFFAOYSA-N
MW293.24 g/mol
LogP0.12
Rot. Bonds3

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

1-[2-(hydroxymethyl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 81208798) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.24 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
PubChem CID81208798
Molecular FormulaC11H14F3N3O3
Molecular Weight293.24 g/mol
Exact Mass293.10
IUPAC Name1-[2-(hydroxymethyl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESO=C(Cn1ccc(C(F)(F)F)n1)N1CCOC(CO)C1
InChIInChI=1S/C11H14F3N3O3/c12-11(13,14)9-1-2-17(15-9)6-10(19)16-3-4-20-8(5-16)7-18/h1-2,8,18H,3-7H2
InChIKeyMIBWTEHERHMZRE-UHFFFAOYSA-N
XLogP0.12
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 81208798) is 1-[2-(hydroxymethyl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is O=C(Cn1ccc(C(F)(F)F)n1)N1CCOC(CO)C1.
What is the InChIKey of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The InChIKey is MIBWTEHERHMZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c12-11(13,14)9-1-2-17(15-9)6-10(19)16-3-4-20-8(5-16)7-18/h1-2,8,18H,3-7H2.
What are the key properties of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
1-[2-(hydroxymethyl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone has a molecular weight of 293.24 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 81208798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).