2-(1H-indol-3-yl)-1-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanone

C24H23N5O2 — CID 55932242

IUPAC2-(1H-indol-3-yl)-1-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)c2cn[nH]c2-c2ccccc2)CC1
InChIInChI=1S/C24H23N5O2/c30-22(14-18-15-25-21-9-5-4-8-19(18)21)28-10-12-29(13-11-28)24(31)20-16-26-27-23(20)17-6-2-1-3-7-17/h1-9,15-16,25H,10-14H2,(H,26,27)
InChIKeyNEBBEIWJSARHOM-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.09
Rot. Bonds4

About 2-(1H-indol-3-yl)-1-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanone

2-(1H-indol-3-yl)-1-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanone (PubChem CID 55932242) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanone
PubChem CID55932242
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name2-(1H-indol-3-yl)-1-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)c2cn[nH]c2-c2ccccc2)CC1
InChIInChI=1S/C24H23N5O2/c30-22(14-18-15-25-21-9-5-4-8-19(18)21)28-10-12-29(13-11-28)24(31)20-16-26-27-23(20)17-6-2-1-3-7-17/h1-9,15-16,25H,10-14H2,(H,26,27)
InChIKeyNEBBEIWJSARHOM-UHFFFAOYSA-N
XLogP3.09
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 60712084
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CID 55810442
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 24599169
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
2-(1H-indol-3-yl)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 110658473
2-(1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110815945
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
4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 56511461
2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073681
3-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 110398604
1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 32770411

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanone (CID 55932242) is 2-(1H-indol-3-yl)-1-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanone is O=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)c2cn[nH]c2-c2ccccc2)CC1.
What is the InChIKey of 2-(1H-indol-3-yl)-1-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is NEBBEIWJSARHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c30-22(14-18-15-25-21-9-5-4-8-19(18)21)28-10-12-29(13-11-28)24(31)20-16-26-27-23(20)17-6-2-1-3-7-17/h1-9,15-16,25H,10-14H2,(H,26,27).
What are the key properties of 2-(1H-indol-3-yl)-1-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanone?
2-(1H-indol-3-yl)-1-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 413.48 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 55932242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).