3,4-dimethyl-1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole

C11H15F3N2 — CID 141267751

IUPAC3,4-dimethyl-1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole
SMILESCc1nn(CC(F)(F)F)c2c1C(C)CCC2
InChIInChI=1S/C11H15F3N2/c1-7-4-3-5-9-10(7)8(2)15-16(9)6-11(12,13)14/h7H,3-6H2,1-2H3
InChIKeyVDWNTHSYWJEFQG-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.19
Rot. Bonds1

About 3,4-dimethyl-1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole

3,4-dimethyl-1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole (PubChem CID 141267751) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 3,4-dimethyl-1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name3,4-dimethyl-1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole
PubChem CID141267751
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name3,4-dimethyl-1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole
SMILESCc1nn(CC(F)(F)F)c2c1C(C)CCC2
InChIInChI=1S/C11H15F3N2/c1-7-4-3-5-9-10(7)8(2)15-16(9)6-11(12,13)14/h7H,3-6H2,1-2H3
InChIKeyVDWNTHSYWJEFQG-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethynyl-1-methyl-4,5,6,7-tetrahydro-1H-indazole
CID 145769935
3-(3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)propanenitrile
CID 19576796
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 12031296
3-ethynyl-2-methyl-4,5,6,7-tetrahydro-2H-indazole
CID 126838928
1-(1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine hydrochloride
CID 165946402
(2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-yl)methanamine
CID 83383904
3-(1,1,2,2,3,3,3-Heptafluoropropyl)-2-methyl-4,5,6,7-tetrahydroindazole
CID 12031302
4-(2-(2,2,2-Trifluoroethyl)-4,5,6,7-tetrahydro-(2H)-indazol-3-yl)piperidine
CID 21912779
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridine
CID 45096966
5-Amino-4,5,6,7-tetrahydro-1-methyl-3-trifluoromethyl-1H-indazole
CID 53406962
5-tert-butyl-1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 57559211
3-Tert-butyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole
CID 58720021

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of 3,4-dimethyl-1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole (CID 141267751) is 3,4-dimethyl-1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 3,4-dimethyl-1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 3,4-dimethyl-1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole is Cc1nn(CC(F)(F)F)c2c1C(C)CCC2.
What is the InChIKey of 3,4-dimethyl-1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole?
The InChIKey is VDWNTHSYWJEFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-7-4-3-5-9-10(7)8(2)15-16(9)6-11(12,13)14/h7H,3-6H2,1-2H3.
What are the key properties of 3,4-dimethyl-1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole?
3,4-dimethyl-1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole has a molecular weight of 232.25 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 141267751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).