4-bromo-1-(2-fluoroethyl)pyrazol-3-amine

C5H7BrFN3 — CID 80693754

IUPAC4-bromo-1-(2-fluoroethyl)pyrazol-3-amine
SMILESNc1nn(CCF)cc1Br
InChIInChI=1S/C5H7BrFN3/c6-4-3-10(2-1-7)9-5(4)8/h3H,1-2H2,(H2,8,9)
InChIKeyIHKMGDCBVRNTEP-UHFFFAOYSA-N
MW208.03 g/mol
LogP1.20
Rot. Bonds2

About 4-bromo-1-(2-fluoroethyl)pyrazol-3-amine

4-bromo-1-(2-fluoroethyl)pyrazol-3-amine (PubChem CID 80693754) has the molecular formula C5H7BrFN3 and a molecular weight of 208.03 g/mol. Its IUPAC name is 4-bromo-1-(2-fluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-(2-fluoroethyl)pyrazol-3-amine
PubChem CID80693754
Molecular FormulaC5H7BrFN3
Molecular Weight208.03 g/mol
Exact Mass206.98
IUPAC Name4-bromo-1-(2-fluoroethyl)pyrazol-3-amine
SMILESNc1nn(CCF)cc1Br
InChIInChI=1S/C5H7BrFN3/c6-4-3-10(2-1-7)9-5(4)8/h3H,1-2H2,(H2,8,9)
InChIKeyIHKMGDCBVRNTEP-UHFFFAOYSA-N
XLogP1.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.03
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-1-(2-fluoroethyl)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-fluoroethyl)pyrazol-3-amine?
The IUPAC name of 4-bromo-1-(2-fluoroethyl)pyrazol-3-amine (CID 80693754) is 4-bromo-1-(2-fluoroethyl)pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-(2-fluoroethyl)pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-(2-fluoroethyl)pyrazol-3-amine is Nc1nn(CCF)cc1Br.
What is the InChIKey of 4-bromo-1-(2-fluoroethyl)pyrazol-3-amine?
The InChIKey is IHKMGDCBVRNTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrFN3/c6-4-3-10(2-1-7)9-5(4)8/h3H,1-2H2,(H2,8,9).
What are the key properties of 4-bromo-1-(2-fluoroethyl)pyrazol-3-amine?
4-bromo-1-(2-fluoroethyl)pyrazol-3-amine has a molecular weight of 208.03 g/mol, XLogP of 1.20, 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-fluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 80693754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).