4-ethyl-1,3-dimethyl-5,6-dihydroindazole

C11H16N2 — CID 130451716

IUPAC4-ethyl-1,3-dimethyl-5,6-dihydroindazole
SMILESCCC1=c2c(C)nn(C)c2=CCC1
InChIInChI=1S/C11H16N2/c1-4-9-6-5-7-10-11(9)8(2)12-13(10)3/h7H,4-6H2,1-3H3
InChIKeyYXLXZZBVEYJNJW-UHFFFAOYSA-N
MW176.26 g/mol
LogP0.86
Rot. Bonds1

About 4-ethyl-1,3-dimethyl-5,6-dihydroindazole

4-ethyl-1,3-dimethyl-5,6-dihydroindazole (PubChem CID 130451716) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-ethyl-1,3-dimethyl-5,6-dihydroindazole.

Molecular Properties

Compound Name4-ethyl-1,3-dimethyl-5,6-dihydroindazole
PubChem CID130451716
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name4-ethyl-1,3-dimethyl-5,6-dihydroindazole
SMILESCCC1=c2c(C)nn(C)c2=CCC1
InChIInChI=1S/C11H16N2/c1-4-9-6-5-7-10-11(9)8(2)12-13(10)3/h7H,4-6H2,1-3H3
InChIKeyYXLXZZBVEYJNJW-UHFFFAOYSA-N
XLogP0.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3-dimethyl-5,6-dihydroindazole?
The IUPAC name of 4-ethyl-1,3-dimethyl-5,6-dihydroindazole (CID 130451716) is 4-ethyl-1,3-dimethyl-5,6-dihydroindazole.
What is the SMILES notation for 4-ethyl-1,3-dimethyl-5,6-dihydroindazole?
The canonical SMILES for 4-ethyl-1,3-dimethyl-5,6-dihydroindazole is CCC1=c2c(C)nn(C)c2=CCC1.
What is the InChIKey of 4-ethyl-1,3-dimethyl-5,6-dihydroindazole?
The InChIKey is YXLXZZBVEYJNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-4-9-6-5-7-10-11(9)8(2)12-13(10)3/h7H,4-6H2,1-3H3.
What are the key properties of 4-ethyl-1,3-dimethyl-5,6-dihydroindazole?
4-ethyl-1,3-dimethyl-5,6-dihydroindazole has a molecular weight of 176.26 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3-dimethyl-5,6-dihydroindazole is sourced from PubChem (CID 130451716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).