2-(4-methylpyrazol-1-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone

C17H20N6O — CID 110132827

IUPAC2-(4-methylpyrazol-1-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
SMILESCc1cnn(CC(=O)N2CCC(c3ccn4nccc4n3)CC2)c1
InChIInChI=1S/C17H20N6O/c1-13-10-19-22(11-13)12-17(24)21-7-3-14(4-8-21)15-5-9-23-16(20-15)2-6-18-23/h2,5-6,9-11,14H,3-4,7-8,12H2,1H3
InChIKeyZQOPLBUXXNECLW-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.64
Rot. Bonds3

About 2-(4-methylpyrazol-1-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone

2-(4-methylpyrazol-1-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone (PubChem CID 110132827) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
PubChem CID110132827
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name2-(4-methylpyrazol-1-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
SMILESCc1cnn(CC(=O)N2CCC(c3ccn4nccc4n3)CC2)c1
InChIInChI=1S/C17H20N6O/c1-13-10-19-22(11-13)12-17(24)21-7-3-14(4-8-21)15-5-9-23-16(20-15)2-6-18-23/h2,5-6,9-11,14H,3-4,7-8,12H2,1H3
InChIKeyZQOPLBUXXNECLW-UHFFFAOYSA-N
XLogP1.64
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-methylpyrazol-1-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone (CID 110132827) is 2-(4-methylpyrazol-1-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone is Cc1cnn(CC(=O)N2CCC(c3ccn4nccc4n3)CC2)c1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone?
The InChIKey is ZQOPLBUXXNECLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-13-10-19-22(11-13)12-17(24)21-7-3-14(4-8-21)15-5-9-23-16(20-15)2-6-18-23/h2,5-6,9-11,14H,3-4,7-8,12H2,1H3.
What are the key properties of 2-(4-methylpyrazol-1-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone?
2-(4-methylpyrazol-1-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone has a molecular weight of 324.39 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 110132827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).