1-(3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol

C21H20N4O — CID 126475091

IUPAC1-(3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol
SMILESOC1CCN(c2ccnc3c(-c4ccc5ccccc5c4)cnn23)CC1
InChIInChI=1S/C21H20N4O/c26-18-8-11-24(12-9-18)20-7-10-22-21-19(14-23-25(20)21)17-6-5-15-3-1-2-4-16(15)13-17/h1-7,10,13-14,18,26H,8-9,11-12H2
InChIKeyBBOLAQNYANMCEW-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.51
Rot. Bonds2

About 1-(3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol

1-(3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol (PubChem CID 126475091) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-(3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol
PubChem CID126475091
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name1-(3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol
SMILESOC1CCN(c2ccnc3c(-c4ccc5ccccc5c4)cnn23)CC1
InChIInChI=1S/C21H20N4O/c26-18-8-11-24(12-9-18)20-7-10-22-21-19(14-23-25(20)21)17-6-5-15-3-1-2-4-16(15)13-17/h1-7,10,13-14,18,26H,8-9,11-12H2
InChIKeyBBOLAQNYANMCEW-UHFFFAOYSA-N
XLogP3.51
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol?
The IUPAC name of 1-(3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol (CID 126475091) is 1-(3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol.
What is the SMILES notation for 1-(3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol?
The canonical SMILES for 1-(3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol is OC1CCN(c2ccnc3c(-c4ccc5ccccc5c4)cnn23)CC1.
What is the InChIKey of 1-(3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol?
The InChIKey is BBOLAQNYANMCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c26-18-8-11-24(12-9-18)20-7-10-22-21-19(14-23-25(20)21)17-6-5-15-3-1-2-4-16(15)13-17/h1-7,10,13-14,18,26H,8-9,11-12H2.
What are the key properties of 1-(3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol?
1-(3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol has a molecular weight of 344.42 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol is sourced from PubChem (CID 126475091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).