2-[5-(4-hydroxypiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone

C16H18N6O2 — CID 70801978

IUPAC2-[5-(4-hydroxypiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
SMILESO=C(Cc1cn[nH]c1N1CCC(O)CC1)c1cnn2cccnc12
InChIInChI=1S/C16H18N6O2/c23-12-2-6-21(7-3-12)15-11(9-18-20-15)8-14(24)13-10-19-22-5-1-4-17-16(13)22/h1,4-5,9-10,12,23H,2-3,6-8H2,(H,18,20)
InChIKeyZPMDAGNRCZECDY-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.84
Rot. Bonds4

About 2-[5-(4-hydroxypiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone

2-[5-(4-hydroxypiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone (PubChem CID 70801978) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[5-(4-hydroxypiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone.

Molecular Properties

Compound Name2-[5-(4-hydroxypiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
PubChem CID70801978
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name2-[5-(4-hydroxypiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
SMILESO=C(Cc1cn[nH]c1N1CCC(O)CC1)c1cnn2cccnc12
InChIInChI=1S/C16H18N6O2/c23-12-2-6-21(7-3-12)15-11(9-18-20-15)8-14(24)13-10-19-22-5-1-4-17-16(13)22/h1,4-5,9-10,12,23H,2-3,6-8H2,(H,18,20)
InChIKeyZPMDAGNRCZECDY-UHFFFAOYSA-N
XLogP0.84
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-hydroxypiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone?
The IUPAC name of 2-[5-(4-hydroxypiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone (CID 70801978) is 2-[5-(4-hydroxypiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone.
What is the SMILES notation for 2-[5-(4-hydroxypiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone?
The canonical SMILES for 2-[5-(4-hydroxypiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone is O=C(Cc1cn[nH]c1N1CCC(O)CC1)c1cnn2cccnc12.
What is the InChIKey of 2-[5-(4-hydroxypiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone?
The InChIKey is ZPMDAGNRCZECDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c23-12-2-6-21(7-3-12)15-11(9-18-20-15)8-14(24)13-10-19-22-5-1-4-17-16(13)22/h1,4-5,9-10,12,23H,2-3,6-8H2,(H,18,20).
What are the key properties of 2-[5-(4-hydroxypiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone?
2-[5-(4-hydroxypiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone has a molecular weight of 326.36 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-hydroxypiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone is sourced from PubChem (CID 70801978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).