2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]ethanol

C6H8F3N3O — CID 43348866

IUPAC2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESNc1cc(C(F)(F)F)nn1CCO
InChIInChI=1S/C6H8F3N3O/c7-6(8,9)4-3-5(10)12(11-4)1-2-13/h3,13H,1-2,10H2
InChIKeyXVZMZTVNARPYSY-UHFFFAOYSA-N
MW195.14 g/mol
LogP0.48
Rot. Bonds2

About 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]ethanol

2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]ethanol (PubChem CID 43348866) has the molecular formula C6H8F3N3O and a molecular weight of 195.14 g/mol. Its IUPAC name is 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]ethanol
PubChem CID43348866
Molecular FormulaC6H8F3N3O
Molecular Weight195.14 g/mol
Exact Mass195.06
IUPAC Name2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESNc1cc(C(F)(F)F)nn1CCO
InChIInChI=1S/C6H8F3N3O/c7-6(8,9)4-3-5(10)12(11-4)1-2-13/h3,13H,1-2,10H2
InChIKeyXVZMZTVNARPYSY-UHFFFAOYSA-N
XLogP0.48
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethyl-3-methyl-1H-pyrazol-5-amine
CID 2768383
2-(5-Amino-3-methyl-1H-pyrazol-1-yl)ethan-1-ol
CID 5018373
3-Methyl-1-propyl-1H-pyrazol-5-amine
CID 1094292
5-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 19622835
1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 19623303
3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine
CID 45600694
2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]ethanol
CID 11687054
(5-amino-3-methyl-1H-pyrazol-1-yl)acetic acid
CID 4737041
1-(2,2-difluoroethyl)-5-methyl-1H-pyrazol-3-amine
CID 19622837
1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 19623304
1-(2,2-difluoroethyl)-3-methyl-1H-pyrazol-5-amine
CID 25247599
1-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 25247986

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]ethanol (CID 43348866) is 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]ethanol is Nc1cc(C(F)(F)F)nn1CCO.
What is the InChIKey of 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The InChIKey is XVZMZTVNARPYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O/c7-6(8,9)4-3-5(10)12(11-4)1-2-13/h3,13H,1-2,10H2.
What are the key properties of 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]ethanol has a molecular weight of 195.14 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 43348866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).