5-(4-bromo-1-benzothiophen-2-yl)-1H-pyrazol-4-amine

C11H8BrN3S — CID 115109736

IUPAC5-(4-bromo-1-benzothiophen-2-yl)-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1-c1cc2c(Br)cccc2s1
InChIInChI=1S/C11H8BrN3S/c12-7-2-1-3-9-6(7)4-10(16-9)11-8(13)5-14-15-11/h1-5H,13H2,(H,14,15)
InChIKeySWUWRPGLGBOYMK-UHFFFAOYSA-N
MW294.18 g/mol
LogP3.64
Rot. Bonds1

About 5-(4-bromo-1-benzothiophen-2-yl)-1H-pyrazol-4-amine

5-(4-bromo-1-benzothiophen-2-yl)-1H-pyrazol-4-amine (PubChem CID 115109736) has the molecular formula C11H8BrN3S and a molecular weight of 294.18 g/mol. Its IUPAC name is 5-(4-bromo-1-benzothiophen-2-yl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-(4-bromo-1-benzothiophen-2-yl)-1H-pyrazol-4-amine
PubChem CID115109736
Molecular FormulaC11H8BrN3S
Molecular Weight294.18 g/mol
Exact Mass292.96
IUPAC Name5-(4-bromo-1-benzothiophen-2-yl)-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1-c1cc2c(Br)cccc2s1
InChIInChI=1S/C11H8BrN3S/c12-7-2-1-3-9-6(7)4-10(16-9)11-8(13)5-14-15-11/h1-5H,13H2,(H,14,15)
InChIKeySWUWRPGLGBOYMK-UHFFFAOYSA-N
XLogP3.64
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-chloro-1-benzothiophen-2-yl)-1H-pyrazol-4-amine
CID 115109656
[6-(4-bromo-1-benzothiophen-2-yl)-3-pyridinyl]methanamine
CID 115113590
4-bromo-1-benzothiophene-2-carbonitrile
CID 56773829
5-(4-fluoro-1H-indol-2-yl)-1H-pyrazol-4-amine
CID 137016959
5-(4-bromo-1,2-dimethylindol-3-yl)-1H-pyrazol-4-amine
CID 115109196
5-(4-chloro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine
CID 115110039
(4-bromo-1-benzothiophen-2-yl)methanol
CID 13466536
6-(4-amino-1H-pyrazol-5-yl)-1,3-benzothiazol-2-amine
CID 174825755
5-(4-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine
CID 115109718
2-(1,3-benzothiazol-2-yloxy)-3-bromoaniline
CID 81499967
4-bromo-2-(ethylsulfonylmethyl)-1-benzothiophene
CID 117172812
5-(4-fluoro-1-methylindol-2-yl)-1H-pyrazol-4-amine
CID 115004731

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-1-benzothiophen-2-yl)-1H-pyrazol-4-amine?
The IUPAC name of 5-(4-bromo-1-benzothiophen-2-yl)-1H-pyrazol-4-amine (CID 115109736) is 5-(4-bromo-1-benzothiophen-2-yl)-1H-pyrazol-4-amine.
What is the SMILES notation for 5-(4-bromo-1-benzothiophen-2-yl)-1H-pyrazol-4-amine?
The canonical SMILES for 5-(4-bromo-1-benzothiophen-2-yl)-1H-pyrazol-4-amine is Nc1cn[nH]c1-c1cc2c(Br)cccc2s1.
What is the InChIKey of 5-(4-bromo-1-benzothiophen-2-yl)-1H-pyrazol-4-amine?
The InChIKey is SWUWRPGLGBOYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3S/c12-7-2-1-3-9-6(7)4-10(16-9)11-8(13)5-14-15-11/h1-5H,13H2,(H,14,15).
What are the key properties of 5-(4-bromo-1-benzothiophen-2-yl)-1H-pyrazol-4-amine?
5-(4-bromo-1-benzothiophen-2-yl)-1H-pyrazol-4-amine has a molecular weight of 294.18 g/mol, XLogP of 3.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-1-benzothiophen-2-yl)-1H-pyrazol-4-amine is sourced from PubChem (CID 115109736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).