5-bromo-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide

C13H13BrFN3O — CID 24695142

IUPAC5-bromo-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCC(C)n1nccc1NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C13H13BrFN3O/c1-8(2)18-12(5-6-16-18)17-13(19)10-7-9(14)3-4-11(10)15/h3-8H,1-2H3,(H,17,19)
InChIKeyOHGYNIXCFVZKCC-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.62
Rot. Bonds3

About 5-bromo-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide

5-bromo-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide (PubChem CID 24695142) has the molecular formula C13H13BrFN3O and a molecular weight of 326.17 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
PubChem CID24695142
Molecular FormulaC13H13BrFN3O
Molecular Weight326.17 g/mol
Exact Mass325.02
IUPAC Name5-bromo-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCC(C)n1nccc1NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C13H13BrFN3O/c1-8(2)18-12(5-6-16-18)17-13(19)10-7-9(14)3-4-11(10)15/h3-8H,1-2H3,(H,17,19)
InChIKeyOHGYNIXCFVZKCC-UHFFFAOYSA-N
XLogP3.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-5-nitro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 43377509
2-fluoro-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 79777050
3,4,5-trifluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 63188295
5-bromo-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide
CID 62954369
2,4-dihydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 103606134
3-fluoro-2-(methylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide
CID 105384065
5-bromo-2-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide
CID 115669438
(2S)-2-(4-bromoanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 39747486
2-oxo-N-(2-propan-2-ylpyrazol-3-yl)chromene-3-carboxamide
CID 30183382
5-amino-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide
CID 54917197
5-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 63327503
2-chloro-5-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 78772248

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide (CID 24695142) is 5-bromo-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide is CC(C)n1nccc1NC(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The InChIKey is OHGYNIXCFVZKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O/c1-8(2)18-12(5-6-16-18)17-13(19)10-7-9(14)3-4-11(10)15/h3-8H,1-2H3,(H,17,19).
What are the key properties of 5-bromo-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
5-bromo-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide has a molecular weight of 326.17 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide is sourced from PubChem (CID 24695142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).