5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C13H18N4O2 — CID 111750099

IUPAC5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CN2CCCC(CO)C2)nc2cc[nH]n12
InChIInChI=1S/C13H18N4O2/c18-9-10-2-1-5-16(7-10)8-11-6-13(19)17-12(15-11)3-4-14-17/h3-4,6,10,14,18H,1-2,5,7-9H2
InChIKeyZNKLKPRTYCYGGZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.23
Rot. Bonds3

About 5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 111750099) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID111750099
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CN2CCCC(CO)C2)nc2cc[nH]n12
InChIInChI=1S/C13H18N4O2/c18-9-10-2-1-5-16(7-10)8-11-6-13(19)17-12(15-11)3-4-14-17/h3-4,6,10,14,18H,1-2,5,7-9H2
InChIKeyZNKLKPRTYCYGGZ-UHFFFAOYSA-N
XLogP0.23
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 111750099) is 5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(CN2CCCC(CO)C2)nc2cc[nH]n12.
What is the InChIKey of 5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZNKLKPRTYCYGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-9-10-2-1-5-16(7-10)8-11-6-13(19)17-12(15-11)3-4-14-17/h3-4,6,10,14,18H,1-2,5,7-9H2.
What are the key properties of 5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 262.31 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 111750099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).