5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one

C17H23N3O — CID 3025439

IUPAC5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one
SMILESCC1CN(C)C(C)CC1N1N=C(c2ccccc2)CC1=O
InChIInChI=1S/C17H23N3O/c1-12-11-19(3)13(2)9-16(12)20-17(21)10-15(18-20)14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3
InChIKeyJREBIAFWXAAHMJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.35
Rot. Bonds2

About 5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one

5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one (PubChem CID 3025439) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one
PubChem CID3025439
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one
SMILESCC1CN(C)C(C)CC1N1N=C(c2ccccc2)CC1=O
InChIInChI=1S/C17H23N3O/c1-12-11-19(3)13(2)9-16(12)20-17(21)10-15(18-20)14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3
InChIKeyJREBIAFWXAAHMJ-UHFFFAOYSA-N
XLogP2.35
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one?
The IUPAC name of 5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one (CID 3025439) is 5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one.
What is the SMILES notation for 5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one?
The canonical SMILES for 5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one is CC1CN(C)C(C)CC1N1N=C(c2ccccc2)CC1=O.
What is the InChIKey of 5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one?
The InChIKey is JREBIAFWXAAHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-11-19(3)13(2)9-16(12)20-17(21)10-15(18-20)14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3.
What are the key properties of 5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one?
5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one has a molecular weight of 285.39 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one is sourced from PubChem (CID 3025439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).