5-(4-bromo-1-benzofuran-2-yl)-1H-pyrazol-3-amine

C11H8BrN3O — CID 115110035

IUPAC5-(4-bromo-1-benzofuran-2-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc3c(Br)cccc3o2)[nH]n1
InChIInChI=1S/C11H8BrN3O/c12-7-2-1-3-9-6(7)4-10(16-9)8-5-11(13)15-14-8/h1-5H,(H3,13,14,15)
InChIKeyAZZYAXGPKUYHKH-UHFFFAOYSA-N
MW278.11 g/mol
LogP3.17
Rot. Bonds1

About 5-(4-bromo-1-benzofuran-2-yl)-1H-pyrazol-3-amine

5-(4-bromo-1-benzofuran-2-yl)-1H-pyrazol-3-amine (PubChem CID 115110035) has the molecular formula C11H8BrN3O and a molecular weight of 278.11 g/mol. Its IUPAC name is 5-(4-bromo-1-benzofuran-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-bromo-1-benzofuran-2-yl)-1H-pyrazol-3-amine
PubChem CID115110035
Molecular FormulaC11H8BrN3O
Molecular Weight278.11 g/mol
Exact Mass276.99
IUPAC Name5-(4-bromo-1-benzofuran-2-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc3c(Br)cccc3o2)[nH]n1
InChIInChI=1S/C11H8BrN3O/c12-7-2-1-3-9-6(7)4-10(16-9)8-5-11(13)15-14-8/h1-5H,(H3,13,14,15)
InChIKeyAZZYAXGPKUYHKH-UHFFFAOYSA-N
XLogP3.17
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-1H-pyrazol-5-yl)-1-benzofuran-4-ol
CID 136986546
5-[4-(trifluoromethyl)-1-benzofuran-2-yl]-1H-pyrazol-3-amine
CID 115110001
4-bromo-2-phenyl-1-benzofuran
CID 11277308
5-(5-bromofuran-2-yl)-1H-pyrazol-3-amine
CID 24702930
2-(4-bromo-1-benzofuran-2-yl)ethanamine
CID 117119914
1-[(4-bromo-1-benzofuran-2-yl)methyl]-4-methylpiperazine
CID 117172246
6-(4-bromo-1-benzofuran-2-yl)-2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazole
CID 118070609
5-(4-bromo-1H-indol-2-yl)-1,2-oxazol-3-amine
CID 136985805
5-(4-fluoro-1H-indol-2-yl)-1H-pyrazol-3-amine
CID 136985687
(4-aminopyrazol-1-yl)-(4-bromo-1-benzofuran-2-yl)methanone
CID 112524965
3-(3-amino-1H-pyrazol-5-yl)phenol
CID 55253217
5-(4-bromothiophen-3-yl)-1H-pyrazol-3-amine
CID 165499489

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-1-benzofuran-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-bromo-1-benzofuran-2-yl)-1H-pyrazol-3-amine (CID 115110035) is 5-(4-bromo-1-benzofuran-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-bromo-1-benzofuran-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-bromo-1-benzofuran-2-yl)-1H-pyrazol-3-amine is Nc1cc(-c2cc3c(Br)cccc3o2)[nH]n1.
What is the InChIKey of 5-(4-bromo-1-benzofuran-2-yl)-1H-pyrazol-3-amine?
The InChIKey is AZZYAXGPKUYHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O/c12-7-2-1-3-9-6(7)4-10(16-9)8-5-11(13)15-14-8/h1-5H,(H3,13,14,15).
What are the key properties of 5-(4-bromo-1-benzofuran-2-yl)-1H-pyrazol-3-amine?
5-(4-bromo-1-benzofuran-2-yl)-1H-pyrazol-3-amine has a molecular weight of 278.11 g/mol, XLogP of 3.17, 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-benzofuran-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 115110035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).