1-(2-phenylethyl)-4-(5-phenyl-1H-pyrazol-3-yl)piperazine

C21H24N4 — CID 10735344

IUPAC1-(2-phenylethyl)-4-(5-phenyl-1H-pyrazol-3-yl)piperazine
SMILESc1ccc(CCN2CCN(c3cc(-c4ccccc4)[nH]n3)CC2)cc1
InChIInChI=1S/C21H24N4/c1-3-7-18(8-4-1)11-12-24-13-15-25(16-14-24)21-17-20(22-23-21)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,22,23)
InChIKeyZLLPRPCSBDCTBZ-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.44
Rot. Bonds5

About 1-(2-phenylethyl)-4-(5-phenyl-1H-pyrazol-3-yl)piperazine

1-(2-phenylethyl)-4-(5-phenyl-1H-pyrazol-3-yl)piperazine (PubChem CID 10735344) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(2-phenylethyl)-4-(5-phenyl-1H-pyrazol-3-yl)piperazine.

Molecular Properties

Compound Name1-(2-phenylethyl)-4-(5-phenyl-1H-pyrazol-3-yl)piperazine
PubChem CID10735344
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name1-(2-phenylethyl)-4-(5-phenyl-1H-pyrazol-3-yl)piperazine
SMILESc1ccc(CCN2CCN(c3cc(-c4ccccc4)[nH]n3)CC2)cc1
InChIInChI=1S/C21H24N4/c1-3-7-18(8-4-1)11-12-24-13-15-25(16-14-24)21-17-20(22-23-21)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,22,23)
InChIKeyZLLPRPCSBDCTBZ-UHFFFAOYSA-N
XLogP3.44
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-4-(5-phenyl-1H-pyrazol-3-yl)piperazine?
The IUPAC name of 1-(2-phenylethyl)-4-(5-phenyl-1H-pyrazol-3-yl)piperazine (CID 10735344) is 1-(2-phenylethyl)-4-(5-phenyl-1H-pyrazol-3-yl)piperazine.
What is the SMILES notation for 1-(2-phenylethyl)-4-(5-phenyl-1H-pyrazol-3-yl)piperazine?
The canonical SMILES for 1-(2-phenylethyl)-4-(5-phenyl-1H-pyrazol-3-yl)piperazine is c1ccc(CCN2CCN(c3cc(-c4ccccc4)[nH]n3)CC2)cc1.
What is the InChIKey of 1-(2-phenylethyl)-4-(5-phenyl-1H-pyrazol-3-yl)piperazine?
The InChIKey is ZLLPRPCSBDCTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-3-7-18(8-4-1)11-12-24-13-15-25(16-14-24)21-17-20(22-23-21)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,22,23).
What are the key properties of 1-(2-phenylethyl)-4-(5-phenyl-1H-pyrazol-3-yl)piperazine?
1-(2-phenylethyl)-4-(5-phenyl-1H-pyrazol-3-yl)piperazine has a molecular weight of 332.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-4-(5-phenyl-1H-pyrazol-3-yl)piperazine is sourced from PubChem (CID 10735344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).