5-(6,6-dimethylpiperidin-3-yl)oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine

C16H24N4O — CID 175980143

IUPAC5-(6,6-dimethylpiperidin-3-yl)oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cnn2ccc(OC3CCC(C)(C)NC3)nc12
InChIInChI=1S/C16H24N4O/c1-11(2)13-10-18-20-8-6-14(19-15(13)20)21-12-5-7-16(3,4)17-9-12/h6,8,10-12,17H,5,7,9H2,1-4H3
InChIKeyJVPDVCUUPLZBNN-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.76
Rot. Bonds3

About 5-(6,6-dimethylpiperidin-3-yl)oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine

5-(6,6-dimethylpiperidin-3-yl)oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 175980143) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 5-(6,6-dimethylpiperidin-3-yl)oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(6,6-dimethylpiperidin-3-yl)oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID175980143
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name5-(6,6-dimethylpiperidin-3-yl)oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cnn2ccc(OC3CCC(C)(C)NC3)nc12
InChIInChI=1S/C16H24N4O/c1-11(2)13-10-18-20-8-6-14(19-15(13)20)21-12-5-7-16(3,4)17-9-12/h6,8,10-12,17H,5,7,9H2,1-4H3
InChIKeyJVPDVCUUPLZBNN-UHFFFAOYSA-N
XLogP2.76
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6,6-dimethylpiperidin-3-yl)oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(6,6-dimethylpiperidin-3-yl)oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine (CID 175980143) is 5-(6,6-dimethylpiperidin-3-yl)oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(6,6-dimethylpiperidin-3-yl)oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(6,6-dimethylpiperidin-3-yl)oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine is CC(C)c1cnn2ccc(OC3CCC(C)(C)NC3)nc12.
What is the InChIKey of 5-(6,6-dimethylpiperidin-3-yl)oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is JVPDVCUUPLZBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11(2)13-10-18-20-8-6-14(19-15(13)20)21-12-5-7-16(3,4)17-9-12/h6,8,10-12,17H,5,7,9H2,1-4H3.
What are the key properties of 5-(6,6-dimethylpiperidin-3-yl)oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine?
5-(6,6-dimethylpiperidin-3-yl)oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 288.40 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,6-dimethylpiperidin-3-yl)oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 175980143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).