4-butan-2-yl-6-(2-methoxyethoxy)-1H-indazole

C14H20N2O2 — CID 167286380

IUPAC4-butan-2-yl-6-(2-methoxyethoxy)-1H-indazole
SMILESCCC(C)c1cc(OCCOC)cc2[nH]ncc12
InChIInChI=1S/C14H20N2O2/c1-4-10(2)12-7-11(18-6-5-17-3)8-14-13(12)9-15-16-14/h7-10H,4-6H2,1-3H3,(H,15,16)
InChIKeyOJNKTWGHSRPYOY-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.10
Rot. Bonds6

About 4-butan-2-yl-6-(2-methoxyethoxy)-1H-indazole

4-butan-2-yl-6-(2-methoxyethoxy)-1H-indazole (PubChem CID 167286380) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-butan-2-yl-6-(2-methoxyethoxy)-1H-indazole.

Molecular Properties

Compound Name4-butan-2-yl-6-(2-methoxyethoxy)-1H-indazole
PubChem CID167286380
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-butan-2-yl-6-(2-methoxyethoxy)-1H-indazole
SMILESCCC(C)c1cc(OCCOC)cc2[nH]ncc12
InChIInChI=1S/C14H20N2O2/c1-4-10(2)12-7-11(18-6-5-17-3)8-14-13(12)9-15-16-14/h7-10H,4-6H2,1-3H3,(H,15,16)
InChIKeyOJNKTWGHSRPYOY-UHFFFAOYSA-N
XLogP3.10
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-6-(2-methoxyethoxy)-1H-indazole?
The IUPAC name of 4-butan-2-yl-6-(2-methoxyethoxy)-1H-indazole (CID 167286380) is 4-butan-2-yl-6-(2-methoxyethoxy)-1H-indazole.
What is the SMILES notation for 4-butan-2-yl-6-(2-methoxyethoxy)-1H-indazole?
The canonical SMILES for 4-butan-2-yl-6-(2-methoxyethoxy)-1H-indazole is CCC(C)c1cc(OCCOC)cc2[nH]ncc12.
What is the InChIKey of 4-butan-2-yl-6-(2-methoxyethoxy)-1H-indazole?
The InChIKey is OJNKTWGHSRPYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-10(2)12-7-11(18-6-5-17-3)8-14-13(12)9-15-16-14/h7-10H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 4-butan-2-yl-6-(2-methoxyethoxy)-1H-indazole?
4-butan-2-yl-6-(2-methoxyethoxy)-1H-indazole has a molecular weight of 248.33 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-6-(2-methoxyethoxy)-1H-indazole is sourced from PubChem (CID 167286380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).