6-[(4-ethylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazole

C21H24N4S — CID 69201978

IUPAC6-[(4-ethylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazole
SMILESCCN1CCN(Cc2ccc3c(c2)Cc2c(-c4ccsc4)n[nH]c2-3)CC1
InChIInChI=1S/C21H24N4S/c1-2-24-6-8-25(9-7-24)13-15-3-4-18-17(11-15)12-19-20(22-23-21(18)19)16-5-10-26-14-16/h3-5,10-11,14H,2,6-9,12-13H2,1H3,(H,22,23)
InChIKeyQTNLXSXLFDQZAT-UHFFFAOYSA-N
MW364.52 g/mol
LogP3.85
Rot. Bonds4

About 6-[(4-ethylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazole

6-[(4-ethylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazole (PubChem CID 69201978) has the molecular formula C21H24N4S and a molecular weight of 364.52 g/mol. Its IUPAC name is 6-[(4-ethylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazole.

Molecular Properties

Compound Name6-[(4-ethylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazole
PubChem CID69201978
Molecular FormulaC21H24N4S
Molecular Weight364.52 g/mol
Exact Mass364.17
IUPAC Name6-[(4-ethylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazole
SMILESCCN1CCN(Cc2ccc3c(c2)Cc2c(-c4ccsc4)n[nH]c2-3)CC1
InChIInChI=1S/C21H24N4S/c1-2-24-6-8-25(9-7-24)13-15-3-4-18-17(11-15)12-19-20(22-23-21(18)19)16-5-10-26-14-16/h3-5,10-11,14H,2,6-9,12-13H2,1H3,(H,22,23)
InChIKeyQTNLXSXLFDQZAT-UHFFFAOYSA-N
XLogP3.85
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazole?
The IUPAC name of 6-[(4-ethylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazole (CID 69201978) is 6-[(4-ethylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazole.
What is the SMILES notation for 6-[(4-ethylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazole?
The canonical SMILES for 6-[(4-ethylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazole is CCN1CCN(Cc2ccc3c(c2)Cc2c(-c4ccsc4)n[nH]c2-3)CC1.
What is the InChIKey of 6-[(4-ethylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazole?
The InChIKey is QTNLXSXLFDQZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4S/c1-2-24-6-8-25(9-7-24)13-15-3-4-18-17(11-15)12-19-20(22-23-21(18)19)16-5-10-26-14-16/h3-5,10-11,14H,2,6-9,12-13H2,1H3,(H,22,23).
What are the key properties of 6-[(4-ethylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazole?
6-[(4-ethylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazole has a molecular weight of 364.52 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazole is sourced from PubChem (CID 69201978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).