2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzamide

C12H11BrFN3O — CID 24702036

IUPAC2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzamide
SMILESCc1cc(NC(=O)c2ccc(F)cc2Br)n(C)n1
InChIInChI=1S/C12H11BrFN3O/c1-7-5-11(17(2)16-7)15-12(18)9-4-3-8(14)6-10(9)13/h3-6H,1-2H3,(H,15,18)
InChIKeyBPNVTIHOEKINSX-UHFFFAOYSA-N
MW312.14 g/mol
LogP2.88
Rot. Bonds2

About 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzamide

2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzamide (PubChem CID 24702036) has the molecular formula C12H11BrFN3O and a molecular weight of 312.14 g/mol. Its IUPAC name is 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzamide
PubChem CID24702036
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC Name2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzamide
SMILESCc1cc(NC(=O)c2ccc(F)cc2Br)n(C)n1
InChIInChI=1S/C12H11BrFN3O/c1-7-5-11(17(2)16-7)15-12(18)9-4-3-8(14)6-10(9)13/h3-6H,1-2H3,(H,15,18)
InChIKeyBPNVTIHOEKINSX-UHFFFAOYSA-N
XLogP2.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzamide (CID 24702036) is 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzamide is Cc1cc(NC(=O)c2ccc(F)cc2Br)n(C)n1.
What is the InChIKey of 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzamide?
The InChIKey is BPNVTIHOEKINSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c1-7-5-11(17(2)16-7)15-12(18)9-4-3-8(14)6-10(9)13/h3-6H,1-2H3,(H,15,18).
What are the key properties of 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzamide?
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzamide has a molecular weight of 312.14 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-fluorobenzamide is sourced from PubChem (CID 24702036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).