2-(4-bromopyrazol-1-yl)-1-[2-(3-chlorophenyl)piperazin-1-yl]ethanone

C15H16BrClN4O — CID 120802292

IUPAC2-(4-bromopyrazol-1-yl)-1-[2-(3-chlorophenyl)piperazin-1-yl]ethanone
SMILESO=C(Cn1cc(Br)cn1)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C15H16BrClN4O/c16-12-7-19-20(9-12)10-15(22)21-5-4-18-8-14(21)11-2-1-3-13(17)6-11/h1-3,6-7,9,14,18H,4-5,8,10H2
InChIKeyJGPGZBWDPCUJKJ-UHFFFAOYSA-N
MW383.68 g/mol
LogP2.47
Rot. Bonds3

About 2-(4-bromopyrazol-1-yl)-1-[2-(3-chlorophenyl)piperazin-1-yl]ethanone

2-(4-bromopyrazol-1-yl)-1-[2-(3-chlorophenyl)piperazin-1-yl]ethanone (PubChem CID 120802292) has the molecular formula C15H16BrClN4O and a molecular weight of 383.68 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-1-[2-(3-chlorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-1-[2-(3-chlorophenyl)piperazin-1-yl]ethanone
PubChem CID120802292
Molecular FormulaC15H16BrClN4O
Molecular Weight383.68 g/mol
Exact Mass382.02
IUPAC Name2-(4-bromopyrazol-1-yl)-1-[2-(3-chlorophenyl)piperazin-1-yl]ethanone
SMILESO=C(Cn1cc(Br)cn1)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C15H16BrClN4O/c16-12-7-19-20(9-12)10-15(22)21-5-4-18-8-14(21)11-2-1-3-13(17)6-11/h1-3,6-7,9,14,18H,4-5,8,10H2
InChIKeyJGPGZBWDPCUJKJ-UHFFFAOYSA-N
XLogP2.47
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.68
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromopyrazol-1-yl)-1-[2-(2-chlorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120738669
1-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide
CID 120802538
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120803593
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride
CID 120803430
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride
CID 120802347
5-[2-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride
CID 120801869
4-[2-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride
CID 120802257
1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 120802381
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 120802984
3-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride
CID 120803142
7-bicyclo[4.1.0]heptanyl-[2-(3-chlorophenyl)piperazin-1-yl]methanone
CID 120803541
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-5-yl)propan-1-one
CID 120803387

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-1-[2-(3-chlorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-1-[2-(3-chlorophenyl)piperazin-1-yl]ethanone (CID 120802292) is 2-(4-bromopyrazol-1-yl)-1-[2-(3-chlorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-1-[2-(3-chlorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-1-[2-(3-chlorophenyl)piperazin-1-yl]ethanone is O=C(Cn1cc(Br)cn1)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-1-[2-(3-chlorophenyl)piperazin-1-yl]ethanone?
The InChIKey is JGPGZBWDPCUJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN4O/c16-12-7-19-20(9-12)10-15(22)21-5-4-18-8-14(21)11-2-1-3-13(17)6-11/h1-3,6-7,9,14,18H,4-5,8,10H2.
What are the key properties of 2-(4-bromopyrazol-1-yl)-1-[2-(3-chlorophenyl)piperazin-1-yl]ethanone?
2-(4-bromopyrazol-1-yl)-1-[2-(3-chlorophenyl)piperazin-1-yl]ethanone has a molecular weight of 383.68 g/mol, XLogP of 2.47, 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-(3-chlorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 120802292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).