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

C14H16BrN3O — CID 103909989

IUPAC5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
SMILESCCc1nn(C)cc1NC(=O)c1cc(Br)ccc1C
InChIInChI=1S/C14H16BrN3O/c1-4-12-13(8-18(3)17-12)16-14(19)11-7-10(15)6-5-9(11)2/h5-8H,4H2,1-3H3,(H,16,19)
InChIKeyQWUAIBDVSUXXCD-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.31
Rot. Bonds3

About 5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide

5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide (PubChem CID 103909989) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
PubChem CID103909989
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
SMILESCCc1nn(C)cc1NC(=O)c1cc(Br)ccc1C
InChIInChI=1S/C14H16BrN3O/c1-4-12-13(8-18(3)17-12)16-14(19)11-7-10(15)6-5-9(11)2/h5-8H,4H2,1-3H3,(H,16,19)
InChIKeyQWUAIBDVSUXXCD-UHFFFAOYSA-N
XLogP3.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylbenzamide
CID 107464719
N-(5-bromo-2-cyanophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 107798325
3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide
CID 106548195
N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide
CID 113349963
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-hydroxybenzamide
CID 107463401
4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxybenzamide
CID 103910780
N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoro-2-hydroxybenzamide
CID 103910077
2-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)pyridine-4-carboxamide
CID 113349973
3-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 100703491
N-(3-ethyl-1-methylpyrazol-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103909985
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 107461918
5-bromo-2-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 65307280

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide?
The IUPAC name of 5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide (CID 103909989) is 5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide is CCc1nn(C)cc1NC(=O)c1cc(Br)ccc1C.
What is the InChIKey of 5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide?
The InChIKey is QWUAIBDVSUXXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-4-12-13(8-18(3)17-12)16-14(19)11-7-10(15)6-5-9(11)2/h5-8H,4H2,1-3H3,(H,16,19).
What are the key properties of 5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide?
5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide has a molecular weight of 322.21 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide is sourced from PubChem (CID 103909989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).