3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide

C13H13BrFN3O — CID 106548195

IUPAC3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide
SMILESCCc1nn(C)cc1NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C13H13BrFN3O/c1-3-10-11(7-18(2)17-10)16-13(19)8-5-4-6-9(14)12(8)15/h4-7H,3H2,1-2H3,(H,16,19)
InChIKeyYYTSJKVYEHZAJI-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.14
Rot. Bonds3

About 3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide

3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide (PubChem CID 106548195) has the molecular formula C13H13BrFN3O and a molecular weight of 326.17 g/mol. Its IUPAC name is 3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide
PubChem CID106548195
Molecular FormulaC13H13BrFN3O
Molecular Weight326.17 g/mol
Exact Mass325.02
IUPAC Name3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide
SMILESCCc1nn(C)cc1NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C13H13BrFN3O/c1-3-10-11(7-18(2)17-10)16-13(19)8-5-4-6-9(14)12(8)15/h4-7H,3H2,1-2H3,(H,16,19)
InChIKeyYYTSJKVYEHZAJI-UHFFFAOYSA-N
XLogP3.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide
CID 107463012
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CID 113349963
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
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3-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 100703491
3-amino-2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 107461878
3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-2-methoxybenzoic acid
CID 166289655
N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoro-2-hydroxybenzamide
CID 103910077
5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 103909989
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitrobenzamide
CID 103910051
3-ethyl-N-(3-fluoro-2-iodophenyl)-1-methylpyrazole-4-carboxamide
CID 114258712
3-bromo-2-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 107953731
N-(3-ethyl-1-methylpyrazol-4-yl)-2-[2-(methylamino)ethyl]benzamide
CID 107463107

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide (CID 106548195) is 3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide is CCc1nn(C)cc1NC(=O)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide?
The InChIKey is YYTSJKVYEHZAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O/c1-3-10-11(7-18(2)17-10)16-13(19)8-5-4-6-9(14)12(8)15/h4-7H,3H2,1-2H3,(H,16,19).
What are the key properties of 3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide?
3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide has a molecular weight of 326.17 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide is sourced from PubChem (CID 106548195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).