2-(3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C15H20N6O — CID 38699385

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCc1cc(C)n(CC(=O)N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C15H20N6O/c1-12-10-13(2)21(18-12)11-14(22)19-6-8-20(9-7-19)15-16-4-3-5-17-15/h3-5,10H,6-9,11H2,1-2H3
InChIKeyOQYCMHWTFXBJIT-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.64
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 38699385) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID38699385
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCc1cc(C)n(CC(=O)N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C15H20N6O/c1-12-10-13(2)21(18-12)11-14(22)19-6-8-20(9-7-19)15-16-4-3-5-17-15/h3-5,10H,6-9,11H2,1-2H3
InChIKeyOQYCMHWTFXBJIT-UHFFFAOYSA-N
XLogP0.64
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 38699385) is 2-(3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is Cc1cc(C)n(CC(=O)N2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is OQYCMHWTFXBJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-12-10-13(2)21(18-12)11-14(22)19-6-8-20(9-7-19)15-16-4-3-5-17-15/h3-5,10H,6-9,11H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 300.37 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 38699385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).