5-ethylindazol-3-one

C9H8N2O — CID 23063923

IUPAC5-ethylindazol-3-one
SMILESCCc1ccc2c(c1)C(=O)N=N2
InChIInChI=1S/C9H8N2O/c1-2-6-3-4-8-7(5-6)9(12)11-10-8/h3-5H,2H2,1H3
InChIKeyXUISTRFOQXCVKD-UHFFFAOYSA-N
MW160.18 g/mol
LogP2.49
Rot. Bonds1

About 5-ethylindazol-3-one

5-ethylindazol-3-one (PubChem CID 23063923) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 5-ethylindazol-3-one.

Molecular Properties

Compound Name5-ethylindazol-3-one
PubChem CID23063923
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name5-ethylindazol-3-one
SMILESCCc1ccc2c(c1)C(=O)N=N2
InChIInChI=1S/C9H8N2O/c1-2-6-3-4-8-7(5-6)9(12)11-10-8/h3-5H,2H2,1H3
InChIKeyXUISTRFOQXCVKD-UHFFFAOYSA-N
XLogP2.49
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethylindazol-3-one?
The IUPAC name of 5-ethylindazol-3-one (CID 23063923) is 5-ethylindazol-3-one.
What is the SMILES notation for 5-ethylindazol-3-one?
The canonical SMILES for 5-ethylindazol-3-one is CCc1ccc2c(c1)C(=O)N=N2.
What is the InChIKey of 5-ethylindazol-3-one?
The InChIKey is XUISTRFOQXCVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-2-6-3-4-8-7(5-6)9(12)11-10-8/h3-5H,2H2,1H3.
What are the key properties of 5-ethylindazol-3-one?
5-ethylindazol-3-one has a molecular weight of 160.18 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylindazol-3-one is sourced from PubChem (CID 23063923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).