2-[1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine

C16H25N5 — CID 56917535

IUPAC2-[1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine
SMILESCCCc1cc(N2CCCC(CCN)C2)n2nccc2n1
InChIInChI=1S/C16H25N5/c1-2-4-14-11-16(21-15(19-14)7-9-18-21)20-10-3-5-13(12-20)6-8-17/h7,9,11,13H,2-6,8,10,12,17H2,1H3
InChIKeyBQTKDLMEANVEBM-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.25
Rot. Bonds5

About 2-[1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine

2-[1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine (PubChem CID 56917535) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine
PubChem CID56917535
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name2-[1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine
SMILESCCCc1cc(N2CCCC(CCN)C2)n2nccc2n1
InChIInChI=1S/C16H25N5/c1-2-4-14-11-16(21-15(19-14)7-9-18-21)20-10-3-5-13(12-20)6-8-17/h7,9,11,13H,2-6,8,10,12,17H2,1H3
InChIKeyBQTKDLMEANVEBM-UHFFFAOYSA-N
XLogP2.25
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine (CID 56917535) is 2-[1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine is CCCc1cc(N2CCCC(CCN)C2)n2nccc2n1.
What is the InChIKey of 2-[1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine?
The InChIKey is BQTKDLMEANVEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-2-4-14-11-16(21-15(19-14)7-9-18-21)20-10-3-5-13(12-20)6-8-17/h7,9,11,13H,2-6,8,10,12,17H2,1H3.
What are the key properties of 2-[1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine?
2-[1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine has a molecular weight of 287.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 56917535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).