3-(1H-pyrazol-4-yl)piperidin-4-one

C8H11N3O — CID 82414579

IUPAC3-(1H-pyrazol-4-yl)piperidin-4-one
SMILESO=C1CCNCC1c1cn[nH]c1
InChIInChI=1S/C8H11N3O/c12-8-1-2-9-5-7(8)6-3-10-11-4-6/h3-4,7,9H,1-2,5H2,(H,10,11)
InChIKeyVWGAMUVDQBSOEV-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.06
Rot. Bonds1

About 3-(1H-pyrazol-4-yl)piperidin-4-one

3-(1H-pyrazol-4-yl)piperidin-4-one (PubChem CID 82414579) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yl)piperidin-4-one.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yl)piperidin-4-one
PubChem CID82414579
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name3-(1H-pyrazol-4-yl)piperidin-4-one
SMILESO=C1CCNCC1c1cn[nH]c1
InChIInChI=1S/C8H11N3O/c12-8-1-2-9-5-7(8)6-3-10-11-4-6/h3-4,7,9H,1-2,5H2,(H,10,11)
InChIKeyVWGAMUVDQBSOEV-UHFFFAOYSA-N
XLogP0.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-yl)piperidin-4-one?
The IUPAC name of 3-(1H-pyrazol-4-yl)piperidin-4-one (CID 82414579) is 3-(1H-pyrazol-4-yl)piperidin-4-one.
What is the SMILES notation for 3-(1H-pyrazol-4-yl)piperidin-4-one?
The canonical SMILES for 3-(1H-pyrazol-4-yl)piperidin-4-one is O=C1CCNCC1c1cn[nH]c1.
What is the InChIKey of 3-(1H-pyrazol-4-yl)piperidin-4-one?
The InChIKey is VWGAMUVDQBSOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c12-8-1-2-9-5-7(8)6-3-10-11-4-6/h3-4,7,9H,1-2,5H2,(H,10,11).
What are the key properties of 3-(1H-pyrazol-4-yl)piperidin-4-one?
3-(1H-pyrazol-4-yl)piperidin-4-one has a molecular weight of 165.20 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-yl)piperidin-4-one is sourced from PubChem (CID 82414579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).