4-ethyl-1,5-dimethylindazole

C11H14N2 — CID 176690635

IUPAC4-ethyl-1,5-dimethylindazole
SMILESCCc1c(C)ccc2c1cnn2C
InChIInChI=1S/C11H14N2/c1-4-9-8(2)5-6-11-10(9)7-12-13(11)3/h5-7H,4H2,1-3H3
InChIKeyJKZKNICMLCPYIW-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.44
Rot. Bonds1

About 4-ethyl-1,5-dimethylindazole

4-ethyl-1,5-dimethylindazole (PubChem CID 176690635) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 4-ethyl-1,5-dimethylindazole.

Molecular Properties

Compound Name4-ethyl-1,5-dimethylindazole
PubChem CID176690635
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name4-ethyl-1,5-dimethylindazole
SMILESCCc1c(C)ccc2c1cnn2C
InChIInChI=1S/C11H14N2/c1-4-9-8(2)5-6-11-10(9)7-12-13(11)3/h5-7H,4H2,1-3H3
InChIKeyJKZKNICMLCPYIW-UHFFFAOYSA-N
XLogP2.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,5-dimethylindazole?
The IUPAC name of 4-ethyl-1,5-dimethylindazole (CID 176690635) is 4-ethyl-1,5-dimethylindazole.
What is the SMILES notation for 4-ethyl-1,5-dimethylindazole?
The canonical SMILES for 4-ethyl-1,5-dimethylindazole is CCc1c(C)ccc2c1cnn2C.
What is the InChIKey of 4-ethyl-1,5-dimethylindazole?
The InChIKey is JKZKNICMLCPYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-4-9-8(2)5-6-11-10(9)7-12-13(11)3/h5-7H,4H2,1-3H3.
What are the key properties of 4-ethyl-1,5-dimethylindazole?
4-ethyl-1,5-dimethylindazole has a molecular weight of 174.25 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,5-dimethylindazole is sourced from PubChem (CID 176690635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).