2-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-3-one

C10H16N2O — CID 90167945

IUPAC2-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-3-one
SMILESCCn1c(=O)c2c(n1C)CCCC2
InChIInChI=1S/C10H16N2O/c1-3-12-10(13)8-6-4-5-7-9(8)11(12)2/h3-7H2,1-2H3
InChIKeyQPDLXTJVEMFBMC-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.09
Rot. Bonds1

About 2-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-3-one

2-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-3-one (PubChem CID 90167945) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-3-one.

Molecular Properties

Compound Name2-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-3-one
PubChem CID90167945
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-3-one
SMILESCCn1c(=O)c2c(n1C)CCCC2
InChIInChI=1S/C10H16N2O/c1-3-12-10(13)8-6-4-5-7-9(8)11(12)2/h3-7H2,1-2H3
InChIKeyQPDLXTJVEMFBMC-UHFFFAOYSA-N
XLogP1.09
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-3-one?
The IUPAC name of 2-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-3-one (CID 90167945) is 2-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-3-one.
What is the SMILES notation for 2-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-3-one?
The canonical SMILES for 2-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-3-one is CCn1c(=O)c2c(n1C)CCCC2.
What is the InChIKey of 2-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-3-one?
The InChIKey is QPDLXTJVEMFBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-12-10(13)8-6-4-5-7-9(8)11(12)2/h3-7H2,1-2H3.
What are the key properties of 2-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-3-one?
2-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-3-one has a molecular weight of 180.25 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-3-one is sourced from PubChem (CID 90167945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).