2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone

C14H24N4O2 — CID 107390267

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
SMILESCOC1(C)CCCN(C(=O)Cn2nc(C)c(N)c2C)C1
InChIInChI=1S/C14H24N4O2/c1-10-13(15)11(2)18(16-10)8-12(19)17-7-5-6-14(3,9-17)20-4/h5-9,15H2,1-4H3
InChIKeyZNVDWZCHXJSBAQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.11
Rot. Bonds3

About 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone

2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone (PubChem CID 107390267) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
PubChem CID107390267
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
SMILESCOC1(C)CCCN(C(=O)Cn2nc(C)c(N)c2C)C1
InChIInChI=1S/C14H24N4O2/c1-10-13(15)11(2)18(16-10)8-12(19)17-7-5-6-14(3,9-17)20-4/h5-9,15H2,1-4H3
InChIKeyZNVDWZCHXJSBAQ-UHFFFAOYSA-N
XLogP1.11
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone (CID 107390267) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone is COC1(C)CCCN(C(=O)Cn2nc(C)c(N)c2C)C1.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone?
The InChIKey is ZNVDWZCHXJSBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10-13(15)11(2)18(16-10)8-12(19)17-7-5-6-14(3,9-17)20-4/h5-9,15H2,1-4H3.
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone has a molecular weight of 280.37 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 107390267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).