2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol

C16H16N4O — CID 155551998

IUPAC2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(C(O)CC2c3ccccc3-c3cncn32)cn1
InChIInChI=1S/C16H16N4O/c1-19-9-11(7-18-19)16(21)6-14-12-4-2-3-5-13(12)15-8-17-10-20(14)15/h2-5,7-10,14,16,21H,6H2,1H3
InChIKeyKUHGUTNXTCZBIA-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.31
Rot. Bonds3

About 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol

2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol (PubChem CID 155551998) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol
PubChem CID155551998
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(C(O)CC2c3ccccc3-c3cncn32)cn1
InChIInChI=1S/C16H16N4O/c1-19-9-11(7-18-19)16(21)6-14-12-4-2-3-5-13(12)15-8-17-10-20(14)15/h2-5,7-10,14,16,21H,6H2,1H3
InChIKeyKUHGUTNXTCZBIA-UHFFFAOYSA-N
XLogP2.31
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol (CID 155551998) is 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol is Cn1cc(C(O)CC2c3ccccc3-c3cncn32)cn1.
What is the InChIKey of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is KUHGUTNXTCZBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-19-9-11(7-18-19)16(21)6-14-12-4-2-3-5-13(12)15-8-17-10-20(14)15/h2-5,7-10,14,16,21H,6H2,1H3.
What are the key properties of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol?
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 280.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 155551998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).