(1R)-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine

C6H8F3N3 — CID 96742679

IUPAC(1R)-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine
SMILESC[C@@H](N)c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C6H8F3N3/c1-3(10)4-2-5(12-11-4)6(7,8)9/h2-3H,10H2,1H3,(H,11,12)/t3-/m1/s1
InChIKeyHHZBZNKEVOBGRT-GSVOUGTGSA-N
MW179.15 g/mol
LogP1.45
Rot. Bonds1

About (1R)-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine

(1R)-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine (PubChem CID 96742679) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is (1R)-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine
PubChem CID96742679
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC Name(1R)-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine
SMILESC[C@@H](N)c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C6H8F3N3/c1-3(10)4-2-5(12-11-4)6(7,8)9/h2-3H,10H2,1H3,(H,11,12)/t3-/m1/s1
InChIKeyHHZBZNKEVOBGRT-GSVOUGTGSA-N
XLogP1.45
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R)-1-[3-(trifluoromethyl)-1H-pyrazol-5-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 (1R)-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine?
The IUPAC name of (1R)-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine (CID 96742679) is (1R)-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine is C[C@@H](N)c1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of (1R)-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine?
The InChIKey is HHZBZNKEVOBGRT-GSVOUGTGSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-3(10)4-2-5(12-11-4)6(7,8)9/h2-3H,10H2,1H3,(H,11,12)/t3-/m1/s1.
What are the key properties of (1R)-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine?
(1R)-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine has a molecular weight of 179.15 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine is sourced from PubChem (CID 96742679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).