4-bromo-2,6-difluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide

C13H12BrF2N3O — CID 115686752

IUPAC4-bromo-2,6-difluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2c(F)cc(Br)cc2F)n[nH]1
InChIInChI=1S/C13H12BrF2N3O/c1-2-3-8-6-11(19-18-8)17-13(20)12-9(15)4-7(14)5-10(12)16/h4-6H,2-3H2,1H3,(H2,17,18,19,20)
InChIKeyJELINLJRJAZIRT-UHFFFAOYSA-N
MW344.16 g/mol
LogP3.66
Rot. Bonds4

About 4-bromo-2,6-difluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide

4-bromo-2,6-difluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide (PubChem CID 115686752) has the molecular formula C13H12BrF2N3O and a molecular weight of 344.16 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
PubChem CID115686752
Molecular FormulaC13H12BrF2N3O
Molecular Weight344.16 g/mol
Exact Mass343.01
IUPAC Name4-bromo-2,6-difluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2c(F)cc(Br)cc2F)n[nH]1
InChIInChI=1S/C13H12BrF2N3O/c1-2-3-8-6-11(19-18-8)17-13(20)12-9(15)4-7(14)5-10(12)16/h4-6H,2-3H2,1H3,(H2,17,18,19,20)
InChIKeyJELINLJRJAZIRT-UHFFFAOYSA-N
XLogP3.66
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2,6-difluoro-N-(5-propyl-1H-pyrazol-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

2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115647444
5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112690348
3-bromo-5-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104853008
2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115778074
2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233987
2,4,5-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)furan-3-carboxamide
CID 115621116
4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115621244
N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 115747889
3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide
CID 104616226
3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid
CID 104621777
4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112702658
1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea
CID 115621073

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-bromo-2,6-difluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide (CID 115686752) is 4-bromo-2,6-difluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-bromo-2,6-difluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-bromo-2,6-difluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide is CCCc1cc(NC(=O)c2c(F)cc(Br)cc2F)n[nH]1.
What is the InChIKey of 4-bromo-2,6-difluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is JELINLJRJAZIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2N3O/c1-2-3-8-6-11(19-18-8)17-13(20)12-9(15)4-7(14)5-10(12)16/h4-6H,2-3H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-bromo-2,6-difluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
4-bromo-2,6-difluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 344.16 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-difluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 115686752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).