1-ethyl-3-methyl-4,5,6,7-tetrahydroindazole

C10H16N2 — CID 121292185

IUPAC1-ethyl-3-methyl-4,5,6,7-tetrahydroindazole
SMILESCCn1nc(C)c2c1CCCC2
InChIInChI=1S/C10H16N2/c1-3-12-10-7-5-4-6-9(10)8(2)11-12/h3-7H2,1-2H3
InChIKeyWXDTUAFNBCTGSJ-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.09
Rot. Bonds1

About 1-ethyl-3-methyl-4,5,6,7-tetrahydroindazole

1-ethyl-3-methyl-4,5,6,7-tetrahydroindazole (PubChem CID 121292185) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-ethyl-3-methyl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-ethyl-3-methyl-4,5,6,7-tetrahydroindazole
PubChem CID121292185
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-ethyl-3-methyl-4,5,6,7-tetrahydroindazole
SMILESCCn1nc(C)c2c1CCCC2
InChIInChI=1S/C10H16N2/c1-3-12-10-7-5-4-6-9(10)8(2)11-12/h3-7H2,1-2H3
InChIKeyWXDTUAFNBCTGSJ-UHFFFAOYSA-N
XLogP2.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-3-methyl-4,5,6,7-tetrahydroindazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-ethyl-3-methyl-4,5,6,7-tetrahydroindazole (CID 121292185) is 1-ethyl-3-methyl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-ethyl-3-methyl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-ethyl-3-methyl-4,5,6,7-tetrahydroindazole is CCn1nc(C)c2c1CCCC2.
What is the InChIKey of 1-ethyl-3-methyl-4,5,6,7-tetrahydroindazole?
The InChIKey is WXDTUAFNBCTGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-12-10-7-5-4-6-9(10)8(2)11-12/h3-7H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-4,5,6,7-tetrahydroindazole?
1-ethyl-3-methyl-4,5,6,7-tetrahydroindazole has a molecular weight of 164.25 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 121292185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).