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

C11H15F3N2 — CID 58977163

IUPAC1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESCC(C)n1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C11H15F3N2/c1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14/h7H,3-6H2,1-2H3
InChIKeyCONATICUPAIFMH-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.36
Rot. Bonds1

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

1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (PubChem CID 58977163) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
PubChem CID58977163
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESCC(C)n1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C11H15F3N2/c1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14/h7H,3-6H2,1-2H3
InChIKeyCONATICUPAIFMH-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-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (CID 58977163) is 1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is CC(C)n1nc(C(F)(F)F)c2c1CCCC2.
What is the InChIKey of 1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The InChIKey is CONATICUPAIFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14/h7H,3-6H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
1-propan-2-yl-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-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 58977163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).