3-bromo-1-thiophen-2-ylpyrazol-5-amine

C7H6BrN3S — CID 68929686

IUPAC3-bromo-1-thiophen-2-ylpyrazol-5-amine
SMILESNc1cc(Br)nn1-c1cccs1
InChIInChI=1S/C7H6BrN3S/c8-5-4-6(9)11(10-5)7-2-1-3-12-7/h1-4H,9H2
InChIKeyBEQYKOSCVKCXCI-UHFFFAOYSA-N
MW244.12 g/mol
LogP2.28
Rot. Bonds1

About 3-bromo-1-thiophen-2-ylpyrazol-5-amine

3-bromo-1-thiophen-2-ylpyrazol-5-amine (PubChem CID 68929686) has the molecular formula C7H6BrN3S and a molecular weight of 244.12 g/mol. Its IUPAC name is 3-bromo-1-thiophen-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-bromo-1-thiophen-2-ylpyrazol-5-amine
PubChem CID68929686
Molecular FormulaC7H6BrN3S
Molecular Weight244.12 g/mol
Exact Mass242.95
IUPAC Name3-bromo-1-thiophen-2-ylpyrazol-5-amine
SMILESNc1cc(Br)nn1-c1cccs1
InChIInChI=1S/C7H6BrN3S/c8-5-4-6(9)11(10-5)7-2-1-3-12-7/h1-4H,9H2
InChIKeyBEQYKOSCVKCXCI-UHFFFAOYSA-N
XLogP2.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-1-thiophen-2-ylpyrazol-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-thiophen-2-ylpyrazol-5-amine?
The IUPAC name of 3-bromo-1-thiophen-2-ylpyrazol-5-amine (CID 68929686) is 3-bromo-1-thiophen-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-bromo-1-thiophen-2-ylpyrazol-5-amine?
The canonical SMILES for 3-bromo-1-thiophen-2-ylpyrazol-5-amine is Nc1cc(Br)nn1-c1cccs1.
What is the InChIKey of 3-bromo-1-thiophen-2-ylpyrazol-5-amine?
The InChIKey is BEQYKOSCVKCXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3S/c8-5-4-6(9)11(10-5)7-2-1-3-12-7/h1-4H,9H2.
What are the key properties of 3-bromo-1-thiophen-2-ylpyrazol-5-amine?
3-bromo-1-thiophen-2-ylpyrazol-5-amine has a molecular weight of 244.12 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-thiophen-2-ylpyrazol-5-amine is sourced from PubChem (CID 68929686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).