2-[5-amino-4-fluoro-3-(trifluoromethyl)pyrazol-1-yl]ethanol

C6H7F4N3O — CID 165499656

IUPAC2-[5-amino-4-fluoro-3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESNc1c(F)c(C(F)(F)F)nn1CCO
InChIInChI=1S/C6H7F4N3O/c7-3-4(6(8,9)10)12-13(1-2-14)5(3)11/h14H,1-2,11H2
InChIKeyQBEXVAGNLKYQCR-UHFFFAOYSA-N
MW213.13 g/mol
LogP0.62
Rot. Bonds2

About 2-[5-amino-4-fluoro-3-(trifluoromethyl)pyrazol-1-yl]ethanol

2-[5-amino-4-fluoro-3-(trifluoromethyl)pyrazol-1-yl]ethanol (PubChem CID 165499656) has the molecular formula C6H7F4N3O and a molecular weight of 213.13 g/mol. Its IUPAC name is 2-[5-amino-4-fluoro-3-(trifluoromethyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-4-fluoro-3-(trifluoromethyl)pyrazol-1-yl]ethanol
PubChem CID165499656
Molecular FormulaC6H7F4N3O
Molecular Weight213.13 g/mol
Exact Mass213.05
IUPAC Name2-[5-amino-4-fluoro-3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESNc1c(F)c(C(F)(F)F)nn1CCO
InChIInChI=1S/C6H7F4N3O/c7-3-4(6(8,9)10)12-13(1-2-14)5(3)11/h14H,1-2,11H2
InChIKeyQBEXVAGNLKYQCR-UHFFFAOYSA-N
XLogP0.62
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.13
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-amino-4-fluoro-3-(trifluoromethyl)pyrazol-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

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-4-fluoro-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-amino-4-fluoro-3-(trifluoromethyl)pyrazol-1-yl]ethanol (CID 165499656) is 2-[5-amino-4-fluoro-3-(trifluoromethyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-amino-4-fluoro-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-amino-4-fluoro-3-(trifluoromethyl)pyrazol-1-yl]ethanol is Nc1c(F)c(C(F)(F)F)nn1CCO.
What is the InChIKey of 2-[5-amino-4-fluoro-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The InChIKey is QBEXVAGNLKYQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F4N3O/c7-3-4(6(8,9)10)12-13(1-2-14)5(3)11/h14H,1-2,11H2.
What are the key properties of 2-[5-amino-4-fluoro-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
2-[5-amino-4-fluoro-3-(trifluoromethyl)pyrazol-1-yl]ethanol has a molecular weight of 213.13 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-4-fluoro-3-(trifluoromethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 165499656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).