2-(4-bromopyrazol-1-yl)-1-(4-propylpiperazin-1-yl)propan-1-one

C13H21BrN4O — CID 56725086

IUPAC2-(4-bromopyrazol-1-yl)-1-(4-propylpiperazin-1-yl)propan-1-one
SMILESCCCN1CCN(C(=O)C(C)n2cc(Br)cn2)CC1
InChIInChI=1S/C13H21BrN4O/c1-3-4-16-5-7-17(8-6-16)13(19)11(2)18-10-12(14)9-15-18/h9-11H,3-8H2,1-2H3
InChIKeyUTZKSHHWMUHUAC-UHFFFAOYSA-N
MW329.24 g/mol
LogP1.76
Rot. Bonds4

About 2-(4-bromopyrazol-1-yl)-1-(4-propylpiperazin-1-yl)propan-1-one

2-(4-bromopyrazol-1-yl)-1-(4-propylpiperazin-1-yl)propan-1-one (PubChem CID 56725086) has the molecular formula C13H21BrN4O and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-1-(4-propylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-1-(4-propylpiperazin-1-yl)propan-1-one
PubChem CID56725086
Molecular FormulaC13H21BrN4O
Molecular Weight329.24 g/mol
Exact Mass328.09
IUPAC Name2-(4-bromopyrazol-1-yl)-1-(4-propylpiperazin-1-yl)propan-1-one
SMILESCCCN1CCN(C(=O)C(C)n2cc(Br)cn2)CC1
InChIInChI=1S/C13H21BrN4O/c1-3-4-16-5-7-17(8-6-16)13(19)11(2)18-10-12(14)9-15-18/h9-11H,3-8H2,1-2H3
InChIKeyUTZKSHHWMUHUAC-UHFFFAOYSA-N
XLogP1.76
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-1-(4-propylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-1-(4-propylpiperazin-1-yl)propan-1-one (CID 56725086) is 2-(4-bromopyrazol-1-yl)-1-(4-propylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-1-(4-propylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-1-(4-propylpiperazin-1-yl)propan-1-one is CCCN1CCN(C(=O)C(C)n2cc(Br)cn2)CC1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-1-(4-propylpiperazin-1-yl)propan-1-one?
The InChIKey is UTZKSHHWMUHUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O/c1-3-4-16-5-7-17(8-6-16)13(19)11(2)18-10-12(14)9-15-18/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-(4-bromopyrazol-1-yl)-1-(4-propylpiperazin-1-yl)propan-1-one?
2-(4-bromopyrazol-1-yl)-1-(4-propylpiperazin-1-yl)propan-1-one has a molecular weight of 329.24 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-1-(4-propylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 56725086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).