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

C13H18N4O — CID 137018641

IUPAC3-ethyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCCc1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C13H18N4O/c1-2-9-8-15-17-11(7-12(18)16-13(9)17)10-3-5-14-6-4-10/h7-8,10,14H,2-6H2,1H3,(H,16,18)
InChIKeyGLVLCVWNQDONLH-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.05
Rot. Bonds2

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

3-ethyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018641) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-ethyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-ethyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018641
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3-ethyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCCc1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C13H18N4O/c1-2-9-8-15-17-11(7-12(18)16-13(9)17)10-3-5-14-6-4-10/h7-8,10,14H,2-6H2,1H3,(H,16,18)
InChIKeyGLVLCVWNQDONLH-UHFFFAOYSA-N
XLogP1.05
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
US10118930, Example 51
CID 137018245
US10118930, Example 40
CID 137018256
US10118930, Example 83
CID 137018276
US10118930, Example 100
CID 137018279
US10118930, Example 98
CID 137018284
US10118930, Example 99
CID 137018285

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-ethyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018641) is 3-ethyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-ethyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-ethyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is CCc1cnn2c(C3CCNCC3)cc(=O)[nH]c12.
What is the InChIKey of 3-ethyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is GLVLCVWNQDONLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-9-8-15-17-11(7-12(18)16-13(9)17)10-3-5-14-6-4-10/h7-8,10,14H,2-6H2,1H3,(H,16,18).
What are the key properties of 3-ethyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-ethyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 246.31 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).