2-(3-bromothiophen-2-yl)pyrazol-3-amine

C7H6BrN3S — CID 68929683

IUPAC2-(3-bromothiophen-2-yl)pyrazol-3-amine
SMILESNc1ccnn1-c1sccc1Br
InChIInChI=1S/C7H6BrN3S/c8-5-2-4-12-7(5)11-6(9)1-3-10-11/h1-4H,9H2
InChIKeyLPKZESRHHJZATL-UHFFFAOYSA-N
MW244.12 g/mol
LogP2.28
Rot. Bonds1

About 2-(3-bromothiophen-2-yl)pyrazol-3-amine

2-(3-bromothiophen-2-yl)pyrazol-3-amine (PubChem CID 68929683) has the molecular formula C7H6BrN3S and a molecular weight of 244.12 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)pyrazol-3-amine
PubChem CID68929683
Molecular FormulaC7H6BrN3S
Molecular Weight244.12 g/mol
Exact Mass242.95
IUPAC Name2-(3-bromothiophen-2-yl)pyrazol-3-amine
SMILESNc1ccnn1-c1sccc1Br
InChIInChI=1S/C7H6BrN3S/c8-5-2-4-12-7(5)11-6(9)1-3-10-11/h1-4H,9H2
InChIKeyLPKZESRHHJZATL-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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)pyrazol-3-amine?
The IUPAC name of 2-(3-bromothiophen-2-yl)pyrazol-3-amine (CID 68929683) is 2-(3-bromothiophen-2-yl)pyrazol-3-amine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)pyrazol-3-amine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)pyrazol-3-amine is Nc1ccnn1-c1sccc1Br.
What is the InChIKey of 2-(3-bromothiophen-2-yl)pyrazol-3-amine?
The InChIKey is LPKZESRHHJZATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3S/c8-5-2-4-12-7(5)11-6(9)1-3-10-11/h1-4H,9H2.
What are the key properties of 2-(3-bromothiophen-2-yl)pyrazol-3-amine?
2-(3-bromothiophen-2-yl)pyrazol-3-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 2-(3-bromothiophen-2-yl)pyrazol-3-amine is sourced from PubChem (CID 68929683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).