4-bromo-2-fluoro-N-(1-methylpyrazol-4-yl)benzamide

C11H9BrFN3O — CID 32606039

IUPAC4-bromo-2-fluoro-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2ccc(Br)cc2F)cn1
InChIInChI=1S/C11H9BrFN3O/c1-16-6-8(5-14-16)15-11(17)9-3-2-7(12)4-10(9)13/h2-6H,1H3,(H,15,17)
InChIKeyNDBZCDALMFEVFS-UHFFFAOYSA-N
MW298.12 g/mol
LogP2.57
Rot. Bonds2

About 4-bromo-2-fluoro-N-(1-methylpyrazol-4-yl)benzamide

4-bromo-2-fluoro-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 32606039) has the molecular formula C11H9BrFN3O and a molecular weight of 298.12 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID32606039
Molecular FormulaC11H9BrFN3O
Molecular Weight298.12 g/mol
Exact Mass296.99
IUPAC Name4-bromo-2-fluoro-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2ccc(Br)cc2F)cn1
InChIInChI=1S/C11H9BrFN3O/c1-16-6-8(5-14-16)15-11(17)9-3-2-7(12)4-10(9)13/h2-6H,1H3,(H,15,17)
InChIKeyNDBZCDALMFEVFS-UHFFFAOYSA-N
XLogP2.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2-fluoro-N-(1-methylpyrazol-4-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

4-bromo-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 790519
N-(2-bromo-4-methylphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 832004
Benzamide, 4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(2-fluorophenyl)-
CID 993965
2-bromo-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]benzamide
CID 1225310
4-bromo-1-ethyl-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 3239332
N-(3-acetylphenyl)-4-bromo-1-ethyl-1H-pyrazole-5-carboxamide
CID 892251
4-{4-[(3-fluorobenzoyl)amino]-1H-pyrazol-1-yl}butanoic acid
CID 1505471
3-bromo-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]benzamide
CID 903830
4-bromo-1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 2168741
4-Bromo-1-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 605120
1-(2-bromobenzoyl)-1H-pyrazole
CID 2213207
N-(1-ethyl-1H-pyrazol-4-yl)-4-fluorobenzamide
CID 51078647

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-(1-methylpyrazol-4-yl)benzamide (CID 32606039) is 4-bromo-2-fluoro-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(1-methylpyrazol-4-yl)benzamide is Cn1cc(NC(=O)c2ccc(Br)cc2F)cn1.
What is the InChIKey of 4-bromo-2-fluoro-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is NDBZCDALMFEVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O/c1-16-6-8(5-14-16)15-11(17)9-3-2-7(12)4-10(9)13/h2-6H,1H3,(H,15,17).
What are the key properties of 4-bromo-2-fluoro-N-(1-methylpyrazol-4-yl)benzamide?
4-bromo-2-fluoro-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 298.12 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 32606039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).