(2,6-dimethylmorpholin-4-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone

C12H16F3N3O2 — CID 56813185

IUPAC(2,6-dimethylmorpholin-4-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone
SMILESCC1CN(C(=O)c2cnn(C)c2C(F)(F)F)CC(C)O1
InChIInChI=1S/C12H16F3N3O2/c1-7-5-18(6-8(2)20-7)11(19)9-4-16-17(3)10(9)12(13,14)15/h4,7-8H,5-6H2,1-3H3
InChIKeyXLBJNNXWDWLXLM-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.69
Rot. Bonds1

About (2,6-dimethylmorpholin-4-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone

(2,6-dimethylmorpholin-4-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone (PubChem CID 56813185) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone
PubChem CID56813185
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone
SMILESCC1CN(C(=O)c2cnn(C)c2C(F)(F)F)CC(C)O1
InChIInChI=1S/C12H16F3N3O2/c1-7-5-18(6-8(2)20-7)11(19)9-4-16-17(3)10(9)12(13,14)15/h4,7-8H,5-6H2,1-3H3
InChIKeyXLBJNNXWDWLXLM-UHFFFAOYSA-N
XLogP1.69
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone (CID 56813185) is (2,6-dimethylmorpholin-4-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone is CC1CN(C(=O)c2cnn(C)c2C(F)(F)F)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone?
The InChIKey is XLBJNNXWDWLXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-7-5-18(6-8(2)20-7)11(19)9-4-16-17(3)10(9)12(13,14)15/h4,7-8H,5-6H2,1-3H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone?
(2,6-dimethylmorpholin-4-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone has a molecular weight of 291.27 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 56813185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).