1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-ol

C17H18N4O — CID 170782938

IUPAC1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-ol
SMILESOC1CCCN(c2cc(-c3ccccc3)nc3ccnn23)C1
InChIInChI=1S/C17H18N4O/c22-14-7-4-10-20(12-14)17-11-15(13-5-2-1-3-6-13)19-16-8-9-18-21(16)17/h1-3,5-6,8-9,11,14,22H,4,7,10,12H2
InChIKeyZCKPJXCCIJKPAO-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.36
Rot. Bonds2

About 1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-ol

1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-ol (PubChem CID 170782938) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-ol
PubChem CID170782938
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-ol
SMILESOC1CCCN(c2cc(-c3ccccc3)nc3ccnn23)C1
InChIInChI=1S/C17H18N4O/c22-14-7-4-10-20(12-14)17-11-15(13-5-2-1-3-6-13)19-16-8-9-18-21(16)17/h1-3,5-6,8-9,11,14,22H,4,7,10,12H2
InChIKeyZCKPJXCCIJKPAO-UHFFFAOYSA-N
XLogP2.36
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-ol?
The IUPAC name of 1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-ol (CID 170782938) is 1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-ol.
What is the SMILES notation for 1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-ol?
The canonical SMILES for 1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-ol is OC1CCCN(c2cc(-c3ccccc3)nc3ccnn23)C1.
What is the InChIKey of 1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-ol?
The InChIKey is ZCKPJXCCIJKPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c22-14-7-4-10-20(12-14)17-11-15(13-5-2-1-3-6-13)19-16-8-9-18-21(16)17/h1-3,5-6,8-9,11,14,22H,4,7,10,12H2.
What are the key properties of 1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-ol?
1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-ol has a molecular weight of 294.36 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-ol is sourced from PubChem (CID 170782938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).