2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine

C6H8F3N3 — CID 19620741

IUPAC2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
SMILESNCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C6H8F3N3/c7-6(8,9)5-1-3-12(11-5)4-2-10/h1,3H,2,4,10H2
InChIKeyOBZDBRBYLJWVPQ-UHFFFAOYSA-N
MW179.15 g/mol
LogP0.86
Rot. Bonds2

About 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine

2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine (PubChem CID 19620741) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
PubChem CID19620741
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC Name2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
SMILESNCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C6H8F3N3/c7-6(8,9)5-1-3-12(11-5)4-2-10/h1,3H,2,4,10H2
InChIKeyOBZDBRBYLJWVPQ-UHFFFAOYSA-N
XLogP0.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine 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-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
The IUPAC name of 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine (CID 19620741) is 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine is NCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
The InChIKey is OBZDBRBYLJWVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c7-6(8,9)5-1-3-12(11-5)4-2-10/h1,3H,2,4,10H2.
What are the key properties of 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine has a molecular weight of 179.15 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine is sourced from PubChem (CID 19620741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).