2-[4-(2-aminoethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol

C12H18F3N3O — CID 82592912

IUPAC2-[4-(2-aminoethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESNCCC1CCCc2c1c(C(F)(F)F)nn2CCO
InChIInChI=1S/C12H18F3N3O/c13-12(14,15)11-10-8(4-5-16)2-1-3-9(10)18(17-11)6-7-19/h8,19H,1-7,16H2
InChIKeySWHBDVMVEQSVRM-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.66
Rot. Bonds4

About 2-[4-(2-aminoethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol

2-[4-(2-aminoethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol (PubChem CID 82592912) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
PubChem CID82592912
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name2-[4-(2-aminoethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESNCCC1CCCc2c1c(C(F)(F)F)nn2CCO
InChIInChI=1S/C12H18F3N3O/c13-12(14,15)11-10-8(4-5-16)2-1-3-9(10)18(17-11)6-7-19/h8,19H,1-7,16H2
InChIKeySWHBDVMVEQSVRM-UHFFFAOYSA-N
XLogP1.66
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-(2,2,2-Trifluoroethyl)-4,5,6,7-tetrahydro-(2H)-indazol-3-yl)piperidine
CID 21912779
2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]ethanamine
CID 66874630
2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]ethanamine hydrochloride
CID 66875517
4-Methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 90162136
1,4-Dimethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 90167823
1-Ethyl-4-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 118357696
1-(3-Methylpentyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 123220650
3,4-Dimethyl-1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole
CID 141267751
2-[3-(Fluoromethyl)-4,5,6,7-tetrahydroindazol-2-yl]ethanamine
CID 142262258
2-[3-(Difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]ethane-1,1-diol
CID 144506077
1-ethoxy-2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]ethanol
CID 163867657
1H-Pyrazolo[4,3-c]pyridine-1-ethanol, 4,5,6,7-tetrahydro-3-(trifluoromethyl)-
CID 82587028

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The IUPAC name of 2-[4-(2-aminoethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol (CID 82592912) is 2-[4-(2-aminoethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-aminoethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-aminoethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol is NCCC1CCCc2c1c(C(F)(F)F)nn2CCO.
What is the InChIKey of 2-[4-(2-aminoethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The InChIKey is SWHBDVMVEQSVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c13-12(14,15)11-10-8(4-5-16)2-1-3-9(10)18(17-11)6-7-19/h8,19H,1-7,16H2.
What are the key properties of 2-[4-(2-aminoethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
2-[4-(2-aminoethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol has a molecular weight of 277.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol is sourced from PubChem (CID 82592912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).