N-(4-bromo-2-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide

C11H8BrFIN3O — CID 19261907

IUPACN-(4-bromo-2-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCn1cc(I)c(C(=O)Nc2ccc(Br)cc2F)n1
InChIInChI=1S/C11H8BrFIN3O/c1-17-5-8(14)10(16-17)11(18)15-9-3-2-6(12)4-7(9)13/h2-5H,1H3,(H,15,18)
InChIKeyURFPJDYSUFUTMY-UHFFFAOYSA-N
MW424.01 g/mol
LogP3.18
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide

N-(4-bromo-2-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide (PubChem CID 19261907) has the molecular formula C11H8BrFIN3O and a molecular weight of 424.01 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
PubChem CID19261907
Molecular FormulaC11H8BrFIN3O
Molecular Weight424.01 g/mol
Exact Mass422.89
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCn1cc(I)c(C(=O)Nc2ccc(Br)cc2F)n1
InChIInChI=1S/C11H8BrFIN3O/c1-17-5-8(14)10(16-17)11(18)15-9-3-2-6(12)4-7(9)13/h2-5H,1H3,(H,15,18)
InChIKeyURFPJDYSUFUTMY-UHFFFAOYSA-N
XLogP3.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.01
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-5-methylphenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261955
N-(3,4-difluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 5301131
N-(3-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 5301133
N-[2-(difluoromethoxy)-4-fluorophenyl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262147
4-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 65355175
N-(4-bromo-2-fluorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 34803866
4-iodo-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide
CID 19262071
N-(2-benzoyl-4-chlorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261901
N-(4-bromo-2-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 78784955
4-bromo-N-(2,4-dibromo-6-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 1014790
N-(4-bromo-2-fluorophenyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481522
N-(4-bromo-2-fluorophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365196

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide (CID 19261907) is N-(4-bromo-2-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide is Cn1cc(I)c(C(=O)Nc2ccc(Br)cc2F)n1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide?
The InChIKey is URFPJDYSUFUTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFIN3O/c1-17-5-8(14)10(16-17)11(18)15-9-3-2-6(12)4-7(9)13/h2-5H,1H3,(H,15,18).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide?
N-(4-bromo-2-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide has a molecular weight of 424.01 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19261907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).