7-piperidin-4-yl-3-propanoyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C14H18N4O2 — CID 137025660

IUPAC7-piperidin-4-yl-3-propanoyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCCC(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C14H18N4O2/c1-2-12(19)10-8-16-18-11(7-13(20)17-14(10)18)9-3-5-15-6-4-9/h7-9,15H,2-6H2,1H3,(H,17,20)
InChIKeyXTIWTDXPIYATRO-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.08
Rot. Bonds3

About 7-piperidin-4-yl-3-propanoyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

7-piperidin-4-yl-3-propanoyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137025660) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 7-piperidin-4-yl-3-propanoyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-piperidin-4-yl-3-propanoyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137025660
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name7-piperidin-4-yl-3-propanoyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCCC(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C14H18N4O2/c1-2-12(19)10-8-16-18-11(7-13(20)17-14(10)18)9-3-5-15-6-4-9/h7-9,15H,2-6H2,1H3,(H,17,20)
InChIKeyXTIWTDXPIYATRO-UHFFFAOYSA-N
XLogP1.08
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US10118930, Example 452
CID 137018609
US10118930, Example 453
CID 137018757
US10118930, Example 101
CID 137018280
US10118930, Example 103
CID 137018571
US10118930, Example 326
CID 137018650
US10118930, Example 362
CID 137018668
1,6-dimethyl-1H,4H,7H-pyrazolo(3,4-b)pyridin-4-one
CID 135426862
US10118930, Example 51
CID 137018245
US10118930, Example 83
CID 137018276
US10118930, Example 82
CID 137018277
US10118930, Example 100
CID 137018279
US10118930, Example 98
CID 137018284

Frequently Asked Questions

What is the IUPAC name of 7-piperidin-4-yl-3-propanoyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-piperidin-4-yl-3-propanoyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137025660) is 7-piperidin-4-yl-3-propanoyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-piperidin-4-yl-3-propanoyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-piperidin-4-yl-3-propanoyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is CCC(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.
What is the InChIKey of 7-piperidin-4-yl-3-propanoyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is XTIWTDXPIYATRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-12(19)10-8-16-18-11(7-13(20)17-14(10)18)9-3-5-15-6-4-9/h7-9,15H,2-6H2,1H3,(H,17,20).
What are the key properties of 7-piperidin-4-yl-3-propanoyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-piperidin-4-yl-3-propanoyl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 274.32 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-yl-3-propanoyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137025660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).