1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-one

C11H12N4O — CID 115372220

IUPAC1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-one
SMILESO=C1CCN(c2ccn3nccc3n2)CC1
InChIInChI=1S/C11H12N4O/c16-9-2-6-14(7-3-9)10-4-8-15-11(13-10)1-5-12-15/h1,4-5,8H,2-3,6-7H2
InChIKeyMKUMHKDQMFWROK-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.90
Rot. Bonds1

About 1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-one

1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-one (PubChem CID 115372220) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-one.

Molecular Properties

Compound Name1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-one
PubChem CID115372220
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-one
SMILESO=C1CCN(c2ccn3nccc3n2)CC1
InChIInChI=1S/C11H12N4O/c16-9-2-6-14(7-3-9)10-4-8-15-11(13-10)1-5-12-15/h1,4-5,8H,2-3,6-7H2
InChIKeyMKUMHKDQMFWROK-UHFFFAOYSA-N
XLogP0.90
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-one?
The IUPAC name of 1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-one (CID 115372220) is 1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-one.
What is the SMILES notation for 1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-one?
The canonical SMILES for 1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-one is O=C1CCN(c2ccn3nccc3n2)CC1.
What is the InChIKey of 1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-one?
The InChIKey is MKUMHKDQMFWROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c16-9-2-6-14(7-3-9)10-4-8-15-11(13-10)1-5-12-15/h1,4-5,8H,2-3,6-7H2.
What are the key properties of 1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-one?
1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-one has a molecular weight of 216.24 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-one is sourced from PubChem (CID 115372220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).