4-indazol-1-ylbutan-1-ol

C11H14N2O — CID 62142094

IUPAC4-indazol-1-ylbutan-1-ol
SMILESOCCCCn1ncc2ccccc21
InChIInChI=1S/C11H14N2O/c14-8-4-3-7-13-11-6-2-1-5-10(11)9-12-13/h1-2,5-6,9,14H,3-4,7-8H2
InChIKeyNQZMZVYALQAUOD-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.81
Rot. Bonds4

About 4-indazol-1-ylbutan-1-ol

4-indazol-1-ylbutan-1-ol (PubChem CID 62142094) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 4-indazol-1-ylbutan-1-ol.

Molecular Properties

Compound Name4-indazol-1-ylbutan-1-ol
PubChem CID62142094
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name4-indazol-1-ylbutan-1-ol
SMILESOCCCCn1ncc2ccccc21
InChIInChI=1S/C11H14N2O/c14-8-4-3-7-13-11-6-2-1-5-10(11)9-12-13/h1-2,5-6,9,14H,3-4,7-8H2
InChIKeyNQZMZVYALQAUOD-UHFFFAOYSA-N
XLogP1.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.81
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-indazol-1-ylbutan-1-ol?
The IUPAC name of 4-indazol-1-ylbutan-1-ol (CID 62142094) is 4-indazol-1-ylbutan-1-ol.
What is the SMILES notation for 4-indazol-1-ylbutan-1-ol?
The canonical SMILES for 4-indazol-1-ylbutan-1-ol is OCCCCn1ncc2ccccc21.
What is the InChIKey of 4-indazol-1-ylbutan-1-ol?
The InChIKey is NQZMZVYALQAUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c14-8-4-3-7-13-11-6-2-1-5-10(11)9-12-13/h1-2,5-6,9,14H,3-4,7-8H2.
What are the key properties of 4-indazol-1-ylbutan-1-ol?
4-indazol-1-ylbutan-1-ol has a molecular weight of 190.25 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indazol-1-ylbutan-1-ol is sourced from PubChem (CID 62142094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).