2-phenyl-5-piperidin-1-yl-4H-pyrazol-3-one

C14H17N3O — CID 3785895

IUPAC2-phenyl-5-piperidin-1-yl-4H-pyrazol-3-one
SMILESO=C1CC(N2CCCCC2)=NN1c1ccccc1
InChIInChI=1S/C14H17N3O/c18-14-11-13(16-9-5-2-6-10-16)15-17(14)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeySHLLXVVESYBPBO-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.22
Rot. Bonds1

About 2-phenyl-5-piperidin-1-yl-4H-pyrazol-3-one

2-phenyl-5-piperidin-1-yl-4H-pyrazol-3-one (PubChem CID 3785895) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-phenyl-5-piperidin-1-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-phenyl-5-piperidin-1-yl-4H-pyrazol-3-one
PubChem CID3785895
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-phenyl-5-piperidin-1-yl-4H-pyrazol-3-one
SMILESO=C1CC(N2CCCCC2)=NN1c1ccccc1
InChIInChI=1S/C14H17N3O/c18-14-11-13(16-9-5-2-6-10-16)15-17(14)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeySHLLXVVESYBPBO-UHFFFAOYSA-N
XLogP2.22
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-piperidin-1-yl-4H-pyrazol-3-one?
The IUPAC name of 2-phenyl-5-piperidin-1-yl-4H-pyrazol-3-one (CID 3785895) is 2-phenyl-5-piperidin-1-yl-4H-pyrazol-3-one.
What is the SMILES notation for 2-phenyl-5-piperidin-1-yl-4H-pyrazol-3-one?
The canonical SMILES for 2-phenyl-5-piperidin-1-yl-4H-pyrazol-3-one is O=C1CC(N2CCCCC2)=NN1c1ccccc1.
What is the InChIKey of 2-phenyl-5-piperidin-1-yl-4H-pyrazol-3-one?
The InChIKey is SHLLXVVESYBPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c18-14-11-13(16-9-5-2-6-10-16)15-17(14)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2.
What are the key properties of 2-phenyl-5-piperidin-1-yl-4H-pyrazol-3-one?
2-phenyl-5-piperidin-1-yl-4H-pyrazol-3-one has a molecular weight of 243.31 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-piperidin-1-yl-4H-pyrazol-3-one is sourced from PubChem (CID 3785895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).