3-(4-benzylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazole

C21H22N4 — CID 18706795

IUPAC3-(4-benzylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazole
SMILESc1ccc(CN2CCN(c3n[nH]c4c3Cc3ccccc3-4)CC2)cc1
InChIInChI=1S/C21H22N4/c1-2-6-16(7-3-1)15-24-10-12-25(13-11-24)21-19-14-17-8-4-5-9-18(17)20(19)22-23-21/h1-9H,10-15H2,(H,22,23)
InChIKeyRTZGQTSBUJGJHC-UHFFFAOYSA-N
MW330.44 g/mol
LogP3.30
Rot. Bonds3

About 3-(4-benzylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazole

3-(4-benzylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazole (PubChem CID 18706795) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazole.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazole
PubChem CID18706795
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name3-(4-benzylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazole
SMILESc1ccc(CN2CCN(c3n[nH]c4c3Cc3ccccc3-4)CC2)cc1
InChIInChI=1S/C21H22N4/c1-2-6-16(7-3-1)15-24-10-12-25(13-11-24)21-19-14-17-8-4-5-9-18(17)20(19)22-23-21/h1-9H,10-15H2,(H,22,23)
InChIKeyRTZGQTSBUJGJHC-UHFFFAOYSA-N
XLogP3.30
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazole?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazole (CID 18706795) is 3-(4-benzylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazole.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazole?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazole is c1ccc(CN2CCN(c3n[nH]c4c3Cc3ccccc3-4)CC2)cc1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazole?
The InChIKey is RTZGQTSBUJGJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-2-6-16(7-3-1)15-24-10-12-25(13-11-24)21-19-14-17-8-4-5-9-18(17)20(19)22-23-21/h1-9H,10-15H2,(H,22,23).
What are the key properties of 3-(4-benzylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazole?
3-(4-benzylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazole has a molecular weight of 330.44 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazole is sourced from PubChem (CID 18706795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).