1-[2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]ethanone

C16H20N8O — CID 24821327

IUPAC1-[2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCNCC1c1cc(N)n2ncc(-c3cnn(C)c3)c2n1
InChIInChI=1S/C16H20N8O/c1-10(25)23-4-3-18-8-14(23)13-5-15(17)24-16(21-13)12(7-20-24)11-6-19-22(2)9-11/h5-7,9,14,18H,3-4,8,17H2,1-2H3
InChIKeyLXONZHFUEAFJJV-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.20
Rot. Bonds2

About 1-[2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]ethanone

1-[2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]ethanone (PubChem CID 24821327) has the molecular formula C16H20N8O and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-[2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]ethanone
PubChem CID24821327
Molecular FormulaC16H20N8O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name1-[2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCNCC1c1cc(N)n2ncc(-c3cnn(C)c3)c2n1
InChIInChI=1S/C16H20N8O/c1-10(25)23-4-3-18-8-14(23)13-5-15(17)24-16(21-13)12(7-20-24)11-6-19-22(2)9-11/h5-7,9,14,18H,3-4,8,17H2,1-2H3
InChIKeyLXONZHFUEAFJJV-UHFFFAOYSA-N
XLogP0.20
TPSA106.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]ethanone (CID 24821327) is 1-[2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]ethanone is CC(=O)N1CCNCC1c1cc(N)n2ncc(-c3cnn(C)c3)c2n1.
What is the InChIKey of 1-[2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]ethanone?
The InChIKey is LXONZHFUEAFJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O/c1-10(25)23-4-3-18-8-14(23)13-5-15(17)24-16(21-13)12(7-20-24)11-6-19-22(2)9-11/h5-7,9,14,18H,3-4,8,17H2,1-2H3.
What are the key properties of 1-[2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]ethanone?
1-[2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]ethanone has a molecular weight of 340.39 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 24821327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).