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

C5H6BrF2N3 — CID 154881709

IUPAC3-bromo-1-(2,2-difluoroethyl)pyrazol-5-amine
SMILESNc1cc(Br)nn1CC(F)F
InChIInChI=1S/C5H6BrF2N3/c6-3-1-5(9)11(10-3)2-4(7)8/h1,4H,2,9H2
InChIKeySVDTXJFRYMMMTA-UHFFFAOYSA-N
MW226.02 g/mol
LogP1.49
Rot. Bonds2

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

3-bromo-1-(2,2-difluoroethyl)pyrazol-5-amine (PubChem CID 154881709) has the molecular formula C5H6BrF2N3 and a molecular weight of 226.02 g/mol. Its IUPAC name is 3-bromo-1-(2,2-difluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-bromo-1-(2,2-difluoroethyl)pyrazol-5-amine
PubChem CID154881709
Molecular FormulaC5H6BrF2N3
Molecular Weight226.02 g/mol
Exact Mass224.97
IUPAC Name3-bromo-1-(2,2-difluoroethyl)pyrazol-5-amine
SMILESNc1cc(Br)nn1CC(F)F
InChIInChI=1S/C5H6BrF2N3/c6-3-1-5(9)11(10-3)2-4(7)8/h1,4H,2,9H2
InChIKeySVDTXJFRYMMMTA-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 3-bromo-1-(2,2-difluoroethyl)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-difluoroethyl)pyrazol-5-amine?
The IUPAC name of 3-bromo-1-(2,2-difluoroethyl)pyrazol-5-amine (CID 154881709) is 3-bromo-1-(2,2-difluoroethyl)pyrazol-5-amine.
What is the SMILES notation for 3-bromo-1-(2,2-difluoroethyl)pyrazol-5-amine?
The canonical SMILES for 3-bromo-1-(2,2-difluoroethyl)pyrazol-5-amine is Nc1cc(Br)nn1CC(F)F.
What is the InChIKey of 3-bromo-1-(2,2-difluoroethyl)pyrazol-5-amine?
The InChIKey is SVDTXJFRYMMMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrF2N3/c6-3-1-5(9)11(10-3)2-4(7)8/h1,4H,2,9H2.
What are the key properties of 3-bromo-1-(2,2-difluoroethyl)pyrazol-5-amine?
3-bromo-1-(2,2-difluoroethyl)pyrazol-5-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 3-bromo-1-(2,2-difluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 154881709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).