1-(1H-indazol-5-yl)ethanone

C9H8N2O — CID 39103988

IUPAC1-(1H-indazol-5-yl)ethanone
SMILESCC(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C9H8N2O/c1-6(12)7-2-3-9-8(4-7)5-10-11-9/h2-5H,1H3,(H,10,11)
InChIKeyWYLOAPVBIBQLJT-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.77
Rot. Bonds1

About 1-(1H-indazol-5-yl)ethanone

1-(1H-indazol-5-yl)ethanone (PubChem CID 39103988) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 1-(1H-indazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1H-indazol-5-yl)ethanone
PubChem CID39103988
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name1-(1H-indazol-5-yl)ethanone
SMILESCC(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C9H8N2O/c1-6(12)7-2-3-9-8(4-7)5-10-11-9/h2-5H,1H3,(H,10,11)
InChIKeyWYLOAPVBIBQLJT-UHFFFAOYSA-N
XLogP1.77
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-5-yl)ethanone?
The IUPAC name of 1-(1H-indazol-5-yl)ethanone (CID 39103988) is 1-(1H-indazol-5-yl)ethanone.
What is the SMILES notation for 1-(1H-indazol-5-yl)ethanone?
The canonical SMILES for 1-(1H-indazol-5-yl)ethanone is CC(=O)c1ccc2[nH]ncc2c1.
What is the InChIKey of 1-(1H-indazol-5-yl)ethanone?
The InChIKey is WYLOAPVBIBQLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-6(12)7-2-3-9-8(4-7)5-10-11-9/h2-5H,1H3,(H,10,11).
What are the key properties of 1-(1H-indazol-5-yl)ethanone?
1-(1H-indazol-5-yl)ethanone has a molecular weight of 160.18 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-5-yl)ethanone is sourced from PubChem (CID 39103988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).