1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one

C15H20N6O — CID 70703170

IUPAC1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cc(-n3ccc(C)n3)ncn2)CC1
InChIInChI=1S/C15H20N6O/c1-3-15(22)20-8-6-19(7-9-20)13-10-14(17-11-16-13)21-5-4-12(2)18-21/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyYXULLTOBJIPYDR-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.03
Rot. Bonds3

About 1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one

1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one (PubChem CID 70703170) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
PubChem CID70703170
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cc(-n3ccc(C)n3)ncn2)CC1
InChIInChI=1S/C15H20N6O/c1-3-15(22)20-8-6-19(7-9-20)13-10-14(17-11-16-13)21-5-4-12(2)18-21/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyYXULLTOBJIPYDR-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one (CID 70703170) is 1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2cc(-n3ccc(C)n3)ncn2)CC1.
What is the InChIKey of 1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The InChIKey is YXULLTOBJIPYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-3-15(22)20-8-6-19(7-9-20)13-10-14(17-11-16-13)21-5-4-12(2)18-21/h4-5,10-11H,3,6-9H2,1-2H3.
What are the key properties of 1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one has a molecular weight of 300.37 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 70703170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).