1-(2,2,2-trifluoroethyl)pyrazol-3-amine

C5H6F3N3 — CID 19576777

IUPAC1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESNc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C5H6F3N3/c6-5(7,8)3-11-2-1-4(9)10-11/h1-2H,3H2,(H2,9,10)
InChIKeyUBZAVFJKMPELPX-UHFFFAOYSA-N
MW165.12 g/mol
LogP1.03
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)pyrazol-3-amine

1-(2,2,2-trifluoroethyl)pyrazol-3-amine (PubChem CID 19576777) has the molecular formula C5H6F3N3 and a molecular weight of 165.12 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)pyrazol-3-amine
PubChem CID19576777
Molecular FormulaC5H6F3N3
Molecular Weight165.12 g/mol
Exact Mass165.05
IUPAC Name1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESNc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C5H6F3N3/c6-5(7,8)3-11-2-1-4(9)10-11/h1-2H,3H2,(H2,9,10)
InChIKeyUBZAVFJKMPELPX-UHFFFAOYSA-N
XLogP1.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.12
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,2,2-trifluoroethyl)pyrazol-3-amine 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 1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The IUPAC name of 1-(2,2,2-trifluoroethyl)pyrazol-3-amine (CID 19576777) is 1-(2,2,2-trifluoroethyl)pyrazol-3-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)pyrazol-3-amine is Nc1ccn(CC(F)(F)F)n1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The InChIKey is UBZAVFJKMPELPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3/c6-5(7,8)3-11-2-1-4(9)10-11/h1-2H,3H2,(H2,9,10).
What are the key properties of 1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
1-(2,2,2-trifluoroethyl)pyrazol-3-amine has a molecular weight of 165.12 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 19576777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).