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

C10H14F3N3O — CID 82592181

IUPAC2-[4-amino-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESNC1CCCc2c1c(C(F)(F)F)nn2CCO
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)9-8-6(14)2-1-3-7(8)16(15-9)4-5-17/h6,17H,1-5,14H2
InChIKeyDXZUXSTZOHCFLJ-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.23
Rot. Bonds2

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

2-[4-amino-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol (PubChem CID 82592181) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-[4-amino-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-amino-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
PubChem CID82592181
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name2-[4-amino-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESNC1CCCc2c1c(C(F)(F)F)nn2CCO
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)9-8-6(14)2-1-3-7(8)16(15-9)4-5-17/h6,17H,1-5,14H2
InChIKeyDXZUXSTZOHCFLJ-UHFFFAOYSA-N
XLogP1.23
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-amino-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetic acid
CID 788039
2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 788042
2-(4-amino-4,5,6,7-tetrahydro-1H-indazol-1-yl)ethan-1-ol
CID 43810753
2-(3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetic acid
CID 165740424
5-Amino-4,5,6,7-tetrahydro-1-methyl-3-trifluoromethyl-1H-indazole
CID 53406962
1-isopropyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 58977163
2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]ethanamine
CID 66874630
2-[3-(Trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethylcarbamic acid
CID 66874812
2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]ethanamine hydrochloride
CID 66875517
1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 71204306
2-(3-(difluoromethyl)-4,4,7,7-tetrafluoro-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetic acid
CID 86719824
3-(1,1-Difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole
CID 90162026

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The IUPAC name of 2-[4-amino-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol (CID 82592181) is 2-[4-amino-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-amino-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The canonical SMILES for 2-[4-amino-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol is NC1CCCc2c1c(C(F)(F)F)nn2CCO.
What is the InChIKey of 2-[4-amino-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The InChIKey is DXZUXSTZOHCFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c11-10(12,13)9-8-6(14)2-1-3-7(8)16(15-9)4-5-17/h6,17H,1-5,14H2.
What are the key properties of 2-[4-amino-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
2-[4-amino-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol has a molecular weight of 249.24 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol is sourced from PubChem (CID 82592181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).