3-bromo-1-(2,2,2-trifluoroethyl)pyrazol-5-amine

C5H5BrF3N3 — CID 154881708

IUPAC3-bromo-1-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESNc1cc(Br)nn1CC(F)(F)F
InChIInChI=1S/C5H5BrF3N3/c6-3-1-4(10)12(11-3)2-5(7,8)9/h1H,2,10H2
InChIKeyAVSAMLWUQYVBIB-UHFFFAOYSA-N
MW244.01 g/mol
LogP1.79
Rot. Bonds1

About 3-bromo-1-(2,2,2-trifluoroethyl)pyrazol-5-amine

3-bromo-1-(2,2,2-trifluoroethyl)pyrazol-5-amine (PubChem CID 154881708) has the molecular formula C5H5BrF3N3 and a molecular weight of 244.01 g/mol. Its IUPAC name is 3-bromo-1-(2,2,2-trifluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-bromo-1-(2,2,2-trifluoroethyl)pyrazol-5-amine
PubChem CID154881708
Molecular FormulaC5H5BrF3N3
Molecular Weight244.01 g/mol
Exact Mass242.96
IUPAC Name3-bromo-1-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESNc1cc(Br)nn1CC(F)(F)F
InChIInChI=1S/C5H5BrF3N3/c6-3-1-4(10)12(11-3)2-5(7,8)9/h1H,2,10H2
InChIKeyAVSAMLWUQYVBIB-UHFFFAOYSA-N
XLogP1.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.01
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-1-(2,2,2-trifluoroethyl)pyrazol-5-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 3-bromo-1-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The IUPAC name of 3-bromo-1-(2,2,2-trifluoroethyl)pyrazol-5-amine (CID 154881708) is 3-bromo-1-(2,2,2-trifluoroethyl)pyrazol-5-amine.
What is the SMILES notation for 3-bromo-1-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The canonical SMILES for 3-bromo-1-(2,2,2-trifluoroethyl)pyrazol-5-amine is Nc1cc(Br)nn1CC(F)(F)F.
What is the InChIKey of 3-bromo-1-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The InChIKey is AVSAMLWUQYVBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrF3N3/c6-3-1-4(10)12(11-3)2-5(7,8)9/h1H,2,10H2.
What are the key properties of 3-bromo-1-(2,2,2-trifluoroethyl)pyrazol-5-amine?
3-bromo-1-(2,2,2-trifluoroethyl)pyrazol-5-amine has a molecular weight of 244.01 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2,2,2-trifluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 154881708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).