2-(1-butan-2-ylpyrazol-3-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol

C18H24N2O — CID 115806384

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol
SMILESCCC(C)n1ccc(CC(O)c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C18H24N2O/c1-3-13(2)20-10-9-17(19-20)12-18(21)16-8-7-14-5-4-6-15(14)11-16/h7-11,13,18,21H,3-6,12H2,1-2H3
InChIKeyGVCKELGSFQPMJC-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.62
Rot. Bonds5

About 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol

2-(1-butan-2-ylpyrazol-3-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol (PubChem CID 115806384) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol
PubChem CID115806384
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol
SMILESCCC(C)n1ccc(CC(O)c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C18H24N2O/c1-3-13(2)20-10-9-17(19-20)12-18(21)16-8-7-14-5-4-6-15(14)11-16/h7-11,13,18,21H,3-6,12H2,1-2H3
InChIKeyGVCKELGSFQPMJC-UHFFFAOYSA-N
XLogP3.62
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-butan-2-ylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
CID 115806455
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CID 64784273
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 64785433
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105103217
2-(1-butan-2-ylpyrazol-3-yl)-1-thiophen-3-ylethanol
CID 64785813
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 64785243
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,4,6-trifluorophenyl)ethanol
CID 115806450
1-(2,3-dihydro-1H-inden-5-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 115820450
1-[2-(1-butan-2-ylpyrazol-3-yl)-1-hydroxyethyl]cyclopentan-1-ol
CID 103448497
(1S)-2-amino-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 83001263
1-[2-(1-butan-2-ylpyrazol-3-yl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452203
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-4-methylphenyl)ethanol
CID 106859288

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol (CID 115806384) is 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol is CCC(C)n1ccc(CC(O)c2ccc3c(c2)CCC3)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol?
The InChIKey is GVCKELGSFQPMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-13(2)20-10-9-17(19-20)12-18(21)16-8-7-14-5-4-6-15(14)11-16/h7-11,13,18,21H,3-6,12H2,1-2H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol?
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol has a molecular weight of 284.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol is sourced from PubChem (CID 115806384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).