1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one

C14H23N3O2 — CID 42890585

IUPAC1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CC(C)OC(C)C2)n1
InChIInChI=1S/C14H23N3O2/c1-10-7-11(2)17(15-10)6-5-14(18)16-8-12(3)19-13(4)9-16/h7,12-13H,5-6,8-9H2,1-4H3
InChIKeyLPMARRWCOUARSE-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.53
Rot. Bonds3

About 1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one

1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one (PubChem CID 42890585) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one
PubChem CID42890585
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CC(C)OC(C)C2)n1
InChIInChI=1S/C14H23N3O2/c1-10-7-11(2)17(15-10)6-5-14(18)16-8-12(3)19-13(4)9-16/h7,12-13H,5-6,8-9H2,1-4H3
InChIKeyLPMARRWCOUARSE-UHFFFAOYSA-N
XLogP1.53
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one (CID 42890585) is 1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one is Cc1cc(C)n(CCC(=O)N2CC(C)OC(C)C2)n1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The InChIKey is LPMARRWCOUARSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-7-11(2)17(15-10)6-5-14(18)16-8-12(3)19-13(4)9-16/h7,12-13H,5-6,8-9H2,1-4H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one?
1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one has a molecular weight of 265.36 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 42890585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).