1-ethyl-4-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

C11H15F3N2 — CID 118357696

IUPAC1-ethyl-4-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESCCn1nc(C(F)(F)F)c2c1CCCC2C
InChIInChI=1S/C11H15F3N2/c1-3-16-8-6-4-5-7(2)9(8)10(15-16)11(12,13)14/h7H,3-6H2,1-2H3
InChIKeyZKJIORWGDXLQPQ-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.36
Rot. Bonds1

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

1-ethyl-4-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (PubChem CID 118357696) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 1-ethyl-4-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-ethyl-4-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
PubChem CID118357696
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name1-ethyl-4-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESCCn1nc(C(F)(F)F)c2c1CCCC2C
InChIInChI=1S/C11H15F3N2/c1-3-16-8-6-4-5-7(2)9(8)10(15-16)11(12,13)14/h7H,3-6H2,1-2H3
InChIKeyZKJIORWGDXLQPQ-UHFFFAOYSA-N
XLogP3.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-ethyl-4-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (CID 118357696) is 1-ethyl-4-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-ethyl-4-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-ethyl-4-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is CCn1nc(C(F)(F)F)c2c1CCCC2C.
What is the InChIKey of 1-ethyl-4-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The InChIKey is ZKJIORWGDXLQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-3-16-8-6-4-5-7(2)9(8)10(15-16)11(12,13)14/h7H,3-6H2,1-2H3.
What are the key properties of 1-ethyl-4-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
1-ethyl-4-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole has a molecular weight of 232.25 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 118357696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).