2-amino-1-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol

C7H10F3N3O — CID 83884238

IUPAC2-amino-1-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol
SMILESNCC(O)c1ccnn1CC(F)(F)F
InChIInChI=1S/C7H10F3N3O/c8-7(9,10)4-13-5(1-2-12-13)6(14)3-11/h1-2,6,14H,3-4,11H2
InChIKeyRUDKHTOLBKWJDT-UHFFFAOYSA-N
MW209.17 g/mol
LogP0.44
Rot. Bonds3

About 2-amino-1-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol

2-amino-1-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol (PubChem CID 83884238) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 2-amino-1-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol
PubChem CID83884238
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name2-amino-1-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol
SMILESNCC(O)c1ccnn1CC(F)(F)F
InChIInChI=1S/C7H10F3N3O/c8-7(9,10)4-13-5(1-2-12-13)6(14)3-11/h1-2,6,14H,3-4,11H2
InChIKeyRUDKHTOLBKWJDT-UHFFFAOYSA-N
XLogP0.44
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol?
The IUPAC name of 2-amino-1-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol (CID 83884238) is 2-amino-1-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol.
What is the SMILES notation for 2-amino-1-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol?
The canonical SMILES for 2-amino-1-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol is NCC(O)c1ccnn1CC(F)(F)F.
What is the InChIKey of 2-amino-1-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol?
The InChIKey is RUDKHTOLBKWJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c8-7(9,10)4-13-5(1-2-12-13)6(14)3-11/h1-2,6,14H,3-4,11H2.
What are the key properties of 2-amino-1-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol?
2-amino-1-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol has a molecular weight of 209.17 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol is sourced from PubChem (CID 83884238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).