2-(4-bromopyrazol-1-yl)-1-[2-(2-chlorophenyl)piperazin-1-yl]ethanone;hydrochloride

C15H17BrCl2N4O — CID 120738669

IUPAC2-(4-bromopyrazol-1-yl)-1-[2-(2-chlorophenyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(Cn1cc(Br)cn1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C15H16BrClN4O.ClH/c16-11-7-19-20(9-11)10-15(22)21-6-5-18-8-14(21)12-3-1-2-4-13(12)17;/h1-4,7,9,14,18H,5-6,8,10H2;1H
InChIKeyDDFMCDNMMPEARK-UHFFFAOYSA-N
MW420.14 g/mol
LogP2.89
Rot. Bonds3

About 2-(4-bromopyrazol-1-yl)-1-[2-(2-chlorophenyl)piperazin-1-yl]ethanone;hydrochloride

2-(4-bromopyrazol-1-yl)-1-[2-(2-chlorophenyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 120738669) has the molecular formula C15H17BrCl2N4O and a molecular weight of 420.14 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-1-[2-(2-chlorophenyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-1-[2-(2-chlorophenyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID120738669
Molecular FormulaC15H17BrCl2N4O
Molecular Weight420.14 g/mol
Exact Mass418.00
IUPAC Name2-(4-bromopyrazol-1-yl)-1-[2-(2-chlorophenyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(Cn1cc(Br)cn1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C15H16BrClN4O.ClH/c16-11-7-19-20(9-11)10-15(22)21-6-5-18-8-14(21)12-3-1-2-4-13(12)17;/h1-4,7,9,14,18H,5-6,8,10H2;1H
InChIKeyDDFMCDNMMPEARK-UHFFFAOYSA-N
XLogP2.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.14
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromopyrazol-1-yl)-1-[2-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 120802292
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225
N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 120739448
N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide;hydrochloride
CID 120739011
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120738581
2-(4-bromopyrazol-1-yl)-1-piperazin-1-ylethanone;dihydrochloride
CID 121226431
4-[2-(2-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride
CID 120738623
5-[2-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride
CID 120739793
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 120739364
1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride
CID 120739229
1-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride
CID 120739581
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-pyridin-4-ylsulfanylethanone;hydrochloride
CID 120739005

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-1-[2-(2-chlorophenyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-1-[2-(2-chlorophenyl)piperazin-1-yl]ethanone;hydrochloride (CID 120738669) is 2-(4-bromopyrazol-1-yl)-1-[2-(2-chlorophenyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-1-[2-(2-chlorophenyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-1-[2-(2-chlorophenyl)piperazin-1-yl]ethanone;hydrochloride is Cl.O=C(Cn1cc(Br)cn1)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-1-[2-(2-chlorophenyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is DDFMCDNMMPEARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN4O.ClH/c16-11-7-19-20(9-11)10-15(22)21-6-5-18-8-14(21)12-3-1-2-4-13(12)17;/h1-4,7,9,14,18H,5-6,8,10H2;1H.
What are the key properties of 2-(4-bromopyrazol-1-yl)-1-[2-(2-chlorophenyl)piperazin-1-yl]ethanone;hydrochloride?
2-(4-bromopyrazol-1-yl)-1-[2-(2-chlorophenyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 420.14 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-1-[2-(2-chlorophenyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 120738669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).