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

C22H24N4 — CID 18706815

IUPAC3-[4-(2-phenylethyl)piperazin-1-yl]-1,4-dihydroindeno[2,1-d]pyrazole
SMILESc1ccc(CCN2CCN(c3n[nH]c4c3Cc3ccccc3-4)CC2)cc1
InChIInChI=1S/C22H24N4/c1-2-6-17(7-3-1)10-11-25-12-14-26(15-13-25)22-20-16-18-8-4-5-9-19(18)21(20)23-24-22/h1-9H,10-16H2,(H,23,24)
InChIKeyZGGOPELCNKARPU-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.35
Rot. Bonds4

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

3-[4-(2-phenylethyl)piperazin-1-yl]-1,4-dihydroindeno[2,1-d]pyrazole (PubChem CID 18706815) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-[4-(2-phenylethyl)piperazin-1-yl]-1,4-dihydroindeno[2,1-d]pyrazole.

Molecular Properties

Compound Name3-[4-(2-phenylethyl)piperazin-1-yl]-1,4-dihydroindeno[2,1-d]pyrazole
PubChem CID18706815
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC Name3-[4-(2-phenylethyl)piperazin-1-yl]-1,4-dihydroindeno[2,1-d]pyrazole
SMILESc1ccc(CCN2CCN(c3n[nH]c4c3Cc3ccccc3-4)CC2)cc1
InChIInChI=1S/C22H24N4/c1-2-6-17(7-3-1)10-11-25-12-14-26(15-13-25)22-20-16-18-8-4-5-9-19(18)21(20)23-24-22/h1-9H,10-16H2,(H,23,24)
InChIKeyZGGOPELCNKARPU-UHFFFAOYSA-N
XLogP3.35
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-phenylethyl)piperazin-1-yl]-1,4-dihydroindeno[2,1-d]pyrazole?
The IUPAC name of 3-[4-(2-phenylethyl)piperazin-1-yl]-1,4-dihydroindeno[2,1-d]pyrazole (CID 18706815) is 3-[4-(2-phenylethyl)piperazin-1-yl]-1,4-dihydroindeno[2,1-d]pyrazole.
What is the SMILES notation for 3-[4-(2-phenylethyl)piperazin-1-yl]-1,4-dihydroindeno[2,1-d]pyrazole?
The canonical SMILES for 3-[4-(2-phenylethyl)piperazin-1-yl]-1,4-dihydroindeno[2,1-d]pyrazole is c1ccc(CCN2CCN(c3n[nH]c4c3Cc3ccccc3-4)CC2)cc1.
What is the InChIKey of 3-[4-(2-phenylethyl)piperazin-1-yl]-1,4-dihydroindeno[2,1-d]pyrazole?
The InChIKey is ZGGOPELCNKARPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c1-2-6-17(7-3-1)10-11-25-12-14-26(15-13-25)22-20-16-18-8-4-5-9-19(18)21(20)23-24-22/h1-9H,10-16H2,(H,23,24).
What are the key properties of 3-[4-(2-phenylethyl)piperazin-1-yl]-1,4-dihydroindeno[2,1-d]pyrazole?
3-[4-(2-phenylethyl)piperazin-1-yl]-1,4-dihydroindeno[2,1-d]pyrazole has a molecular weight of 344.46 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-phenylethyl)piperazin-1-yl]-1,4-dihydroindeno[2,1-d]pyrazole is sourced from PubChem (CID 18706815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).