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

C14H15BrIN3O — CID 104619953

IUPAC5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-iodobenzamide
SMILESCC(C)(C)c1cc(NC(=O)c2cc(Br)ccc2I)n[nH]1
InChIInChI=1S/C14H15BrIN3O/c1-14(2,3)11-7-12(19-18-11)17-13(20)9-6-8(15)4-5-10(9)16/h4-7H,1-3H3,(H2,17,18,19,20)
InChIKeyFCTVEWDVTKKZRT-UHFFFAOYSA-N
MW448.10 g/mol
LogP4.33
Rot. Bonds2

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

5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-iodobenzamide (PubChem CID 104619953) has the molecular formula C14H15BrIN3O and a molecular weight of 448.10 g/mol. Its IUPAC name is 5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-iodobenzamide.

Molecular Properties

Compound Name5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-iodobenzamide
PubChem CID104619953
Molecular FormulaC14H15BrIN3O
Molecular Weight448.10 g/mol
Exact Mass446.94
IUPAC Name5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-iodobenzamide
SMILESCC(C)(C)c1cc(NC(=O)c2cc(Br)ccc2I)n[nH]1
InChIInChI=1S/C14H15BrIN3O/c1-14(2,3)11-7-12(19-18-11)17-13(20)9-6-8(15)4-5-10(9)16/h4-7H,1-3H3,(H2,17,18,19,20)
InChIKeyFCTVEWDVTKKZRT-UHFFFAOYSA-N
XLogP4.33
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.10
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxybenzamide
CID 115603581
2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-5-iodobenzamide
CID 103995808
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-2-carboxamide
CID 112688842
5-bromo-2-iodo-N-pyridin-2-ylbenzamide
CID 23819192
2-(4-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 115589896
5-bromo-2-iodo-N-(5-iodo-2-pyridinyl)benzamide
CID 114033128
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxy-4-methylbenzamide
CID 115603617
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-iodophenoxy)acetamide
CID 55976047
4-amino-3-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzamide
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N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzamide
CID 115603610
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-chloro-4-fluorobenzamide
CID 115603601
4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63818565

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-iodobenzamide?
The IUPAC name of 5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-iodobenzamide (CID 104619953) is 5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-iodobenzamide.
What is the SMILES notation for 5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-iodobenzamide?
The canonical SMILES for 5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-iodobenzamide is CC(C)(C)c1cc(NC(=O)c2cc(Br)ccc2I)n[nH]1.
What is the InChIKey of 5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-iodobenzamide?
The InChIKey is FCTVEWDVTKKZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrIN3O/c1-14(2,3)11-7-12(19-18-11)17-13(20)9-6-8(15)4-5-10(9)16/h4-7H,1-3H3,(H2,17,18,19,20).
What are the key properties of 5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-iodobenzamide?
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-iodobenzamide has a molecular weight of 448.10 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-iodobenzamide is sourced from PubChem (CID 104619953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).