5-(3-bromothiophen-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine

C12H9BrN4S — CID 80524690

IUPAC5-(3-bromothiophen-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2sccc2Br)c1-c1ccncc1
InChIInChI=1S/C12H9BrN4S/c13-8-3-6-18-11(8)10-9(12(14)17-16-10)7-1-4-15-5-2-7/h1-6H,(H3,14,16,17)
InChIKeyIYJOUOHGLRIBIX-UHFFFAOYSA-N
MW321.20 g/mol
LogP3.54
Rot. Bonds2

About 5-(3-bromothiophen-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine

5-(3-bromothiophen-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine (PubChem CID 80524690) has the molecular formula C12H9BrN4S and a molecular weight of 321.20 g/mol. Its IUPAC name is 5-(3-bromothiophen-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-bromothiophen-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine
PubChem CID80524690
Molecular FormulaC12H9BrN4S
Molecular Weight321.20 g/mol
Exact Mass319.97
IUPAC Name5-(3-bromothiophen-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2sccc2Br)c1-c1ccncc1
InChIInChI=1S/C12H9BrN4S/c13-8-3-6-18-11(8)10-9(12(14)17-16-10)7-1-4-15-5-2-7/h1-6H,(H3,14,16,17)
InChIKeyIYJOUOHGLRIBIX-UHFFFAOYSA-N
XLogP3.54
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromothiophen-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-bromothiophen-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine (CID 80524690) is 5-(3-bromothiophen-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-bromothiophen-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-bromothiophen-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine is Nc1n[nH]c(-c2sccc2Br)c1-c1ccncc1.
What is the InChIKey of 5-(3-bromothiophen-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The InChIKey is IYJOUOHGLRIBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4S/c13-8-3-6-18-11(8)10-9(12(14)17-16-10)7-1-4-15-5-2-7/h1-6H,(H3,14,16,17).
What are the key properties of 5-(3-bromothiophen-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
5-(3-bromothiophen-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine has a molecular weight of 321.20 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromothiophen-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 80524690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).