1-(3,5-dimethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone

C13H22N4O — CID 63863889

IUPAC1-(3,5-dimethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone
SMILESCc1cc(C)n(CC(=O)N2CC(C)NC(C)C2)n1
InChIInChI=1S/C13H22N4O/c1-9-5-12(4)17(15-9)8-13(18)16-6-10(2)14-11(3)7-16/h5,10-11,14H,6-8H2,1-4H3
InChIKeyCUTPVNVCHLHTGS-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.71
Rot. Bonds2

About 1-(3,5-dimethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone

1-(3,5-dimethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone (PubChem CID 63863889) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone
PubChem CID63863889
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-(3,5-dimethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone
SMILESCc1cc(C)n(CC(=O)N2CC(C)NC(C)C2)n1
InChIInChI=1S/C13H22N4O/c1-9-5-12(4)17(15-9)8-13(18)16-6-10(2)14-11(3)7-16/h5,10-11,14H,6-8H2,1-4H3
InChIKeyCUTPVNVCHLHTGS-UHFFFAOYSA-N
XLogP0.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone?
The IUPAC name of 1-(3,5-dimethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone (CID 63863889) is 1-(3,5-dimethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone is Cc1cc(C)n(CC(=O)N2CC(C)NC(C)C2)n1.
What is the InChIKey of 1-(3,5-dimethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone?
The InChIKey is CUTPVNVCHLHTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-5-12(4)17(15-9)8-13(18)16-6-10(2)14-11(3)7-16/h5,10-11,14H,6-8H2,1-4H3.
What are the key properties of 1-(3,5-dimethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone?
1-(3,5-dimethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone has a molecular weight of 250.35 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone is sourced from PubChem (CID 63863889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).