4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

C12H17F3N2 — CID 90162136

IUPAC4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESCC1CCCc2c1c(C(F)(F)F)nn2C(C)C
InChIInChI=1S/C12H17F3N2/c1-7(2)17-9-6-4-5-8(3)10(9)11(16-17)12(13,14)15/h7-8H,4-6H2,1-3H3
InChIKeyCJJUAIXJBUZZEP-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.92
Rot. Bonds1

About 4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (PubChem CID 90162136) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
PubChem CID90162136
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESCC1CCCc2c1c(C(F)(F)F)nn2C(C)C
InChIInChI=1S/C12H17F3N2/c1-7(2)17-9-6-4-5-8(3)10(9)11(16-17)12(13,14)15/h7-8H,4-6H2,1-3H3
InChIKeyCJJUAIXJBUZZEP-UHFFFAOYSA-N
XLogP3.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of 4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (CID 90162136) is 4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is CC1CCCc2c1c(C(F)(F)F)nn2C(C)C.
What is the InChIKey of 4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The InChIKey is CJJUAIXJBUZZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-7(2)17-9-6-4-5-8(3)10(9)11(16-17)12(13,14)15/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole has a molecular weight of 246.28 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 90162136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).