2-(5-methyl-2-propan-2-ylindazol-3-yl)ethanol

C13H18N2O — CID 84724378

IUPAC2-(5-methyl-2-propan-2-ylindazol-3-yl)ethanol
SMILESCc1ccc2nn(C(C)C)c(CCO)c2c1
InChIInChI=1S/C13H18N2O/c1-9(2)15-13(6-7-16)11-8-10(3)4-5-12(11)14-15/h4-5,8-9,16H,6-7H2,1-3H3
InChIKeyYMKBKLPRKNXMMZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.46
Rot. Bonds3

About 2-(5-methyl-2-propan-2-ylindazol-3-yl)ethanol

2-(5-methyl-2-propan-2-ylindazol-3-yl)ethanol (PubChem CID 84724378) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylindazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylindazol-3-yl)ethanol
PubChem CID84724378
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(5-methyl-2-propan-2-ylindazol-3-yl)ethanol
SMILESCc1ccc2nn(C(C)C)c(CCO)c2c1
InChIInChI=1S/C13H18N2O/c1-9(2)15-13(6-7-16)11-8-10(3)4-5-12(11)14-15/h4-5,8-9,16H,6-7H2,1-3H3
InChIKeyYMKBKLPRKNXMMZ-UHFFFAOYSA-N
XLogP2.46
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylindazol-3-yl)ethanol?
The IUPAC name of 2-(5-methyl-2-propan-2-ylindazol-3-yl)ethanol (CID 84724378) is 2-(5-methyl-2-propan-2-ylindazol-3-yl)ethanol.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylindazol-3-yl)ethanol?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylindazol-3-yl)ethanol is Cc1ccc2nn(C(C)C)c(CCO)c2c1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylindazol-3-yl)ethanol?
The InChIKey is YMKBKLPRKNXMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(2)15-13(6-7-16)11-8-10(3)4-5-12(11)14-15/h4-5,8-9,16H,6-7H2,1-3H3.
What are the key properties of 2-(5-methyl-2-propan-2-ylindazol-3-yl)ethanol?
2-(5-methyl-2-propan-2-ylindazol-3-yl)ethanol has a molecular weight of 218.30 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylindazol-3-yl)ethanol is sourced from PubChem (CID 84724378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).