5-(4-bromophenyl)-2-piperidin-4-yl-4H-pyrazol-3-one

C14H16BrN3O — CID 159212011

IUPAC5-(4-bromophenyl)-2-piperidin-4-yl-4H-pyrazol-3-one
SMILESO=C1CC(c2ccc(Br)cc2)=NN1C1CCNCC1
InChIInChI=1S/C14H16BrN3O/c15-11-3-1-10(2-4-11)13-9-14(19)18(17-13)12-5-7-16-8-6-12/h1-4,12,16H,5-9H2
InChIKeyKQPKJEAWSRBGBZ-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.14
Rot. Bonds2

About 5-(4-bromophenyl)-2-piperidin-4-yl-4H-pyrazol-3-one

5-(4-bromophenyl)-2-piperidin-4-yl-4H-pyrazol-3-one (PubChem CID 159212011) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-piperidin-4-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-piperidin-4-yl-4H-pyrazol-3-one
PubChem CID159212011
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name5-(4-bromophenyl)-2-piperidin-4-yl-4H-pyrazol-3-one
SMILESO=C1CC(c2ccc(Br)cc2)=NN1C1CCNCC1
InChIInChI=1S/C14H16BrN3O/c15-11-3-1-10(2-4-11)13-9-14(19)18(17-13)12-5-7-16-8-6-12/h1-4,12,16H,5-9H2
InChIKeyKQPKJEAWSRBGBZ-UHFFFAOYSA-N
XLogP2.14
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide
CID 6624453
4,5-Dihydro-(1H)-pyrazole derivative, 3d
CID 11637551
(3S,4R)-N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 25108279
N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide
CID 71598179
6-(4-Bromophenyl)-2-(2-fluoroethyl)-4,5-dihydropyridazin-3-one
CID 88293872
2-[[3-(4-bromophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]amino]acetohydrazide
CID 139226150
3-(4-bromophenyl)-5-[[2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-2-oxoethyl]amino]-4,5-dihydro-1H-pyridazin-6-one
CID 139226151
5-(4-bromophenyl)-2,3-dihydro-1H-pyrazin-6-one
CID 162412628
2-(4-bromophenyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 2712645
2-(4-bromophenyl)-N-(1-propylpiperidin-4-yl)acetamide
CID 9264585
N'-[(E)-(4-bromophenyl)methylidene]-2-oxopiperidine-3-carbohydrazide
CID 9667670
2-(4-bromophenyl)-N-(1-ethylpiperidin-4-yl)acetamide
CID 17250227

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-piperidin-4-yl-4H-pyrazol-3-one?
The IUPAC name of 5-(4-bromophenyl)-2-piperidin-4-yl-4H-pyrazol-3-one (CID 159212011) is 5-(4-bromophenyl)-2-piperidin-4-yl-4H-pyrazol-3-one.
What is the SMILES notation for 5-(4-bromophenyl)-2-piperidin-4-yl-4H-pyrazol-3-one?
The canonical SMILES for 5-(4-bromophenyl)-2-piperidin-4-yl-4H-pyrazol-3-one is O=C1CC(c2ccc(Br)cc2)=NN1C1CCNCC1.
What is the InChIKey of 5-(4-bromophenyl)-2-piperidin-4-yl-4H-pyrazol-3-one?
The InChIKey is KQPKJEAWSRBGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c15-11-3-1-10(2-4-11)13-9-14(19)18(17-13)12-5-7-16-8-6-12/h1-4,12,16H,5-9H2.
What are the key properties of 5-(4-bromophenyl)-2-piperidin-4-yl-4H-pyrazol-3-one?
5-(4-bromophenyl)-2-piperidin-4-yl-4H-pyrazol-3-one has a molecular weight of 322.21 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-piperidin-4-yl-4H-pyrazol-3-one is sourced from PubChem (CID 159212011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).