5-(5-bromo-1-benzofuran-2-yl)-N-tert-butyl-1H-pyrazol-3-amine

C15H16BrN3O — CID 63530942

IUPAC5-(5-bromo-1-benzofuran-2-yl)-N-tert-butyl-1H-pyrazol-3-amine
SMILESCC(C)(C)Nc1cc(-c2cc3cc(Br)ccc3o2)[nH]n1
InChIInChI=1S/C15H16BrN3O/c1-15(2,3)17-14-8-11(18-19-14)13-7-9-6-10(16)4-5-12(9)20-13/h4-8H,1-3H3,(H2,17,18,19)
InChIKeyTVEIYSTWVIDDEB-UHFFFAOYSA-N
MW334.22 g/mol
LogP4.80
Rot. Bonds2

About 5-(5-bromo-1-benzofuran-2-yl)-N-tert-butyl-1H-pyrazol-3-amine

5-(5-bromo-1-benzofuran-2-yl)-N-tert-butyl-1H-pyrazol-3-amine (PubChem CID 63530942) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 5-(5-bromo-1-benzofuran-2-yl)-N-tert-butyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-bromo-1-benzofuran-2-yl)-N-tert-butyl-1H-pyrazol-3-amine
PubChem CID63530942
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name5-(5-bromo-1-benzofuran-2-yl)-N-tert-butyl-1H-pyrazol-3-amine
SMILESCC(C)(C)Nc1cc(-c2cc3cc(Br)ccc3o2)[nH]n1
InChIInChI=1S/C15H16BrN3O/c1-15(2,3)17-14-8-11(18-19-14)13-7-9-6-10(16)4-5-12(9)20-13/h4-8H,1-3H3,(H2,17,18,19)
InChIKeyTVEIYSTWVIDDEB-UHFFFAOYSA-N
XLogP4.80
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-1-benzofuran-2-yl)-N-tert-butyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-bromo-1-benzofuran-2-yl)-N-tert-butyl-1H-pyrazol-3-amine (CID 63530942) is 5-(5-bromo-1-benzofuran-2-yl)-N-tert-butyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-bromo-1-benzofuran-2-yl)-N-tert-butyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-bromo-1-benzofuran-2-yl)-N-tert-butyl-1H-pyrazol-3-amine is CC(C)(C)Nc1cc(-c2cc3cc(Br)ccc3o2)[nH]n1.
What is the InChIKey of 5-(5-bromo-1-benzofuran-2-yl)-N-tert-butyl-1H-pyrazol-3-amine?
The InChIKey is TVEIYSTWVIDDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-15(2,3)17-14-8-11(18-19-14)13-7-9-6-10(16)4-5-12(9)20-13/h4-8H,1-3H3,(H2,17,18,19).
What are the key properties of 5-(5-bromo-1-benzofuran-2-yl)-N-tert-butyl-1H-pyrazol-3-amine?
5-(5-bromo-1-benzofuran-2-yl)-N-tert-butyl-1H-pyrazol-3-amine has a molecular weight of 334.22 g/mol, XLogP of 4.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-1-benzofuran-2-yl)-N-tert-butyl-1H-pyrazol-3-amine is sourced from PubChem (CID 63530942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).