4-bromo-1-(2,2-difluoroethyl)pyrazol-3-amine

C5H6BrF2N3 — CID 19622834

IUPAC4-bromo-1-(2,2-difluoroethyl)pyrazol-3-amine
SMILESNc1nn(CC(F)F)cc1Br
InChIInChI=1S/C5H6BrF2N3/c6-3-1-11(2-4(7)8)10-5(3)9/h1,4H,2H2,(H2,9,10)
InChIKeyIAGSVTWZLHIZRX-UHFFFAOYSA-N
MW226.02 g/mol
LogP1.49
Rot. Bonds2

About 4-bromo-1-(2,2-difluoroethyl)pyrazol-3-amine

4-bromo-1-(2,2-difluoroethyl)pyrazol-3-amine (PubChem CID 19622834) has the molecular formula C5H6BrF2N3 and a molecular weight of 226.02 g/mol. Its IUPAC name is 4-bromo-1-(2,2-difluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-(2,2-difluoroethyl)pyrazol-3-amine
PubChem CID19622834
Molecular FormulaC5H6BrF2N3
Molecular Weight226.02 g/mol
Exact Mass224.97
IUPAC Name4-bromo-1-(2,2-difluoroethyl)pyrazol-3-amine
SMILESNc1nn(CC(F)F)cc1Br
InChIInChI=1S/C5H6BrF2N3/c6-3-1-11(2-4(7)8)10-5(3)9/h1,4H,2H2,(H2,9,10)
InChIKeyIAGSVTWZLHIZRX-UHFFFAOYSA-N
XLogP1.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.02
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-1-(2,2-difluoroethyl)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 4-bromo-1-(2,2-difluoroethyl)pyrazol-3-amine?
The IUPAC name of 4-bromo-1-(2,2-difluoroethyl)pyrazol-3-amine (CID 19622834) is 4-bromo-1-(2,2-difluoroethyl)pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-(2,2-difluoroethyl)pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-(2,2-difluoroethyl)pyrazol-3-amine is Nc1nn(CC(F)F)cc1Br.
What is the InChIKey of 4-bromo-1-(2,2-difluoroethyl)pyrazol-3-amine?
The InChIKey is IAGSVTWZLHIZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrF2N3/c6-3-1-11(2-4(7)8)10-5(3)9/h1,4H,2H2,(H2,9,10).
What are the key properties of 4-bromo-1-(2,2-difluoroethyl)pyrazol-3-amine?
4-bromo-1-(2,2-difluoroethyl)pyrazol-3-amine has a molecular weight of 226.02 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2,2-difluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 19622834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).