1-[4-[1-(4-bromophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone

C24H22BrN5O2 — CID 55810095

IUPAC1-[4-[1-(4-bromophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1
InChIInChI=1S/C24H22BrN5O2/c25-19-5-7-20(8-6-19)30-16-18(15-27-30)24(32)29-11-9-28(10-12-29)23(31)13-17-14-26-22-4-2-1-3-21(17)22/h1-8,14-16,26H,9-13H2
InChIKeyICMMRQQCKTUQJH-UHFFFAOYSA-N
MW492.38 g/mol
LogP3.64
Rot. Bonds4

About 1-[4-[1-(4-bromophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone

1-[4-[1-(4-bromophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 55810095) has the molecular formula C24H22BrN5O2 and a molecular weight of 492.38 g/mol. Its IUPAC name is 1-[4-[1-(4-bromophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-[1-(4-bromophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID55810095
Molecular FormulaC24H22BrN5O2
Molecular Weight492.38 g/mol
Exact Mass491.10
IUPAC Name1-[4-[1-(4-bromophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1
InChIInChI=1S/C24H22BrN5O2/c25-19-5-7-20(8-6-19)30-16-18(15-27-30)24(32)29-11-9-28(10-12-29)23(31)13-17-14-26-22-4-2-1-3-21(17)22/h1-8,14-16,26H,9-13H2
InChIKeyICMMRQQCKTUQJH-UHFFFAOYSA-N
XLogP3.64
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[1-(4-bromophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 32770411
[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 17428329
(4-benzylsulfonylpiperazin-1-yl)-[1-(4-bromophenyl)pyrazol-4-yl]methanone
CID 112832444
2-(1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110815945
[1-(4-bromophenyl)pyrazol-4-yl]-(1,4-diazepan-1-yl)methanone;hydrochloride
CID 119417965
[4-[1-(4-bromophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 55774534
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
2-(1H-indol-3-yl)-1-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanone
CID 55932242
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110806405

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-bromophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[4-[1-(4-bromophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone (CID 55810095) is 1-[4-[1-(4-bromophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[4-[1-(4-bromophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[4-[1-(4-bromophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone is O=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1.
What is the InChIKey of 1-[4-[1-(4-bromophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is ICMMRQQCKTUQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN5O2/c25-19-5-7-20(8-6-19)30-16-18(15-27-30)24(32)29-11-9-28(10-12-29)23(31)13-17-14-26-22-4-2-1-3-21(17)22/h1-8,14-16,26H,9-13H2.
What are the key properties of 1-[4-[1-(4-bromophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
1-[4-[1-(4-bromophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 492.38 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(4-bromophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 55810095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).