4-bromo-N-(2,4-dibromo-6-fluorophenyl)-1-methylpyrazole-3-carboxamide

C11H7Br3FN3O — CID 1014790

IUPAC4-bromo-N-(2,4-dibromo-6-fluorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Br)c(C(=O)Nc2c(F)cc(Br)cc2Br)n1
InChIInChI=1S/C11H7Br3FN3O/c1-18-4-7(14)10(17-18)11(19)16-9-6(13)2-5(12)3-8(9)15/h2-4H,1H3,(H,16,19)
InChIKeyAIDROXZSIOGMNB-UHFFFAOYSA-N
MW455.91 g/mol
LogP4.10
Rot. Bonds2

About 4-bromo-N-(2,4-dibromo-6-fluorophenyl)-1-methylpyrazole-3-carboxamide

4-bromo-N-(2,4-dibromo-6-fluorophenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 1014790) has the molecular formula C11H7Br3FN3O and a molecular weight of 455.91 g/mol. Its IUPAC name is 4-bromo-N-(2,4-dibromo-6-fluorophenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2,4-dibromo-6-fluorophenyl)-1-methylpyrazole-3-carboxamide
PubChem CID1014790
Molecular FormulaC11H7Br3FN3O
Molecular Weight455.91 g/mol
Exact Mass452.81
IUPAC Name4-bromo-N-(2,4-dibromo-6-fluorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Br)c(C(=O)Nc2c(F)cc(Br)cc2Br)n1
InChIInChI=1S/C11H7Br3FN3O/c1-18-4-7(14)10(17-18)11(19)16-9-6(13)2-5(12)3-8(9)15/h2-4H,1H3,(H,16,19)
InChIKeyAIDROXZSIOGMNB-UHFFFAOYSA-N
XLogP4.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.91
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 903278
4-bromo-1-methyl-N-pyrimidin-2-ylpyrazole-3-carboxamide
CID 19577614
4-bromo-1-methylpyrazole-3-carbohydrazide
CID 605116
4-bromo-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-3-carboxamide
CID 4252326
4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 835667
4-bromo-N-(5-chloro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
CID 19262709
N-(4-bromo-2-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261907
4-bromo-N-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262777
4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide
CID 43126410
4-bromo-N-(2,3-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262689
2-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 1214119
4-bromo-1-methyl-N-(4,4,4-trifluoro-3-hydroxy-2-methylbutan-2-yl)pyrazole-3-carboxamide
CID 138012453

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,4-dibromo-6-fluorophenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(2,4-dibromo-6-fluorophenyl)-1-methylpyrazole-3-carboxamide (CID 1014790) is 4-bromo-N-(2,4-dibromo-6-fluorophenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(2,4-dibromo-6-fluorophenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(2,4-dibromo-6-fluorophenyl)-1-methylpyrazole-3-carboxamide is Cn1cc(Br)c(C(=O)Nc2c(F)cc(Br)cc2Br)n1.
What is the InChIKey of 4-bromo-N-(2,4-dibromo-6-fluorophenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is AIDROXZSIOGMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br3FN3O/c1-18-4-7(14)10(17-18)11(19)16-9-6(13)2-5(12)3-8(9)15/h2-4H,1H3,(H,16,19).
What are the key properties of 4-bromo-N-(2,4-dibromo-6-fluorophenyl)-1-methylpyrazole-3-carboxamide?
4-bromo-N-(2,4-dibromo-6-fluorophenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 455.91 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,4-dibromo-6-fluorophenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 1014790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).