[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone

C17H27N3O3 — CID 126767274

IUPAC[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone
SMILESCc1c(C(=O)N2CC(C)OCC2(C)C)cnn1C1CCOCC1
InChIInChI=1S/C17H27N3O3/c1-12-10-19(17(3,4)11-23-12)16(21)15-9-18-20(13(15)2)14-5-7-22-8-6-14/h9,12,14H,5-8,10-11H2,1-4H3
InChIKeyCCPJFSXUTLCSIH-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.18
Rot. Bonds2

About [5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone

[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone (PubChem CID 126767274) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is [5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone
PubChem CID126767274
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone
SMILESCc1c(C(=O)N2CC(C)OCC2(C)C)cnn1C1CCOCC1
InChIInChI=1S/C17H27N3O3/c1-12-10-19(17(3,4)11-23-12)16(21)15-9-18-20(13(15)2)14-5-7-22-8-6-14/h9,12,14H,5-8,10-11H2,1-4H3
InChIKeyCCPJFSXUTLCSIH-UHFFFAOYSA-N
XLogP2.18
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone?
The IUPAC name of [5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone (CID 126767274) is [5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone?
The canonical SMILES for [5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone is Cc1c(C(=O)N2CC(C)OCC2(C)C)cnn1C1CCOCC1.
What is the InChIKey of [5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone?
The InChIKey is CCPJFSXUTLCSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-12-10-19(17(3,4)11-23-12)16(21)15-9-18-20(13(15)2)14-5-7-22-8-6-14/h9,12,14H,5-8,10-11H2,1-4H3.
What are the key properties of [5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone?
[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone has a molecular weight of 321.42 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 126767274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).