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

C13H19ClN4O — CID 137025657

IUPAC3-ethyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCCc1cnn2c(C3CCNCC3)cc(=O)[nH]c12.Cl
InChIInChI=1S/C13H18N4O.ClH/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);1H
InChIKeyJGNXKYDDSNEGAR-UHFFFAOYSA-N
MW282.78 g/mol
LogP1.47
Rot. Bonds2

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

3-ethyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (PubChem CID 137025657) has the molecular formula C13H19ClN4O and a molecular weight of 282.78 g/mol. Its IUPAC name is 3-ethyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride.

Molecular Properties

Compound Name3-ethyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
PubChem CID137025657
Molecular FormulaC13H19ClN4O
Molecular Weight282.78 g/mol
Exact Mass282.12
IUPAC Name3-ethyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCCc1cnn2c(C3CCNCC3)cc(=O)[nH]c12.Cl
InChIInChI=1S/C13H18N4O.ClH/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);1H
InChIKeyJGNXKYDDSNEGAR-UHFFFAOYSA-N
XLogP1.47
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.78
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The IUPAC name of 3-ethyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (CID 137025657) is 3-ethyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride.
What is the SMILES notation for 3-ethyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The canonical SMILES for 3-ethyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride is CCc1cnn2c(C3CCNCC3)cc(=O)[nH]c12.Cl.
What is the InChIKey of 3-ethyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The InChIKey is JGNXKYDDSNEGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O.ClH/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);1H.
What are the key properties of 3-ethyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
3-ethyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride has a molecular weight of 282.78 g/mol, XLogP of 1.47, 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;hydrochloride is sourced from PubChem (CID 137025657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).