3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylpropan-1-one

C14H21N3O3 — CID 19616910

IUPAC3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylpropan-1-one
SMILESCC(=O)c1c(C)nn(CCC(=O)N2CCOCC2)c1C
InChIInChI=1S/C14H21N3O3/c1-10-14(12(3)18)11(2)17(15-10)5-4-13(19)16-6-8-20-9-7-16/h4-9H2,1-3H3
InChIKeyIRURGWUNEVJUCL-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.95
Rot. Bonds4

About 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylpropan-1-one

3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylpropan-1-one (PubChem CID 19616910) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylpropan-1-one
PubChem CID19616910
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylpropan-1-one
SMILESCC(=O)c1c(C)nn(CCC(=O)N2CCOCC2)c1C
InChIInChI=1S/C14H21N3O3/c1-10-14(12(3)18)11(2)17(15-10)5-4-13(19)16-6-8-20-9-7-16/h4-9H2,1-3H3
InChIKeyIRURGWUNEVJUCL-UHFFFAOYSA-N
XLogP0.95
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylpropan-1-one (CID 19616910) is 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylpropan-1-one is CC(=O)c1c(C)nn(CCC(=O)N2CCOCC2)c1C.
What is the InChIKey of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is IRURGWUNEVJUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10-14(12(3)18)11(2)17(15-10)5-4-13(19)16-6-8-20-9-7-16/h4-9H2,1-3H3.
What are the key properties of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylpropan-1-one?
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 279.34 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 19616910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).