3-ethoxy-1H-indazole

C9H10N2O — CID 13143675

IUPAC3-ethoxy-1H-indazole
SMILESCCOc1n[nH]c2ccccc12
InChIInChI=1S/C9H10N2O/c1-2-12-9-7-5-3-4-6-8(7)10-11-9/h3-6H,2H2,1H3,(H,10,11)
InChIKeyVGTSMARXFZTGCL-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.96
Rot. Bonds2

About 3-ethoxy-1H-indazole

3-ethoxy-1H-indazole (PubChem CID 13143675) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-ethoxy-1H-indazole.

Molecular Properties

Compound Name3-ethoxy-1H-indazole
PubChem CID13143675
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name3-ethoxy-1H-indazole
SMILESCCOc1n[nH]c2ccccc12
InChIInChI=1S/C9H10N2O/c1-2-12-9-7-5-3-4-6-8(7)10-11-9/h3-6H,2H2,1H3,(H,10,11)
InChIKeyVGTSMARXFZTGCL-UHFFFAOYSA-N
XLogP1.96
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1H-indazole?
The IUPAC name of 3-ethoxy-1H-indazole (CID 13143675) is 3-ethoxy-1H-indazole.
What is the SMILES notation for 3-ethoxy-1H-indazole?
The canonical SMILES for 3-ethoxy-1H-indazole is CCOc1n[nH]c2ccccc12.
What is the InChIKey of 3-ethoxy-1H-indazole?
The InChIKey is VGTSMARXFZTGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-2-12-9-7-5-3-4-6-8(7)10-11-9/h3-6H,2H2,1H3,(H,10,11).
What are the key properties of 3-ethoxy-1H-indazole?
3-ethoxy-1H-indazole has a molecular weight of 162.19 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1H-indazole is sourced from PubChem (CID 13143675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).