3-bromo-N-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide

C13H14BrN3O — CID 104853786

IUPAC3-bromo-N-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2cn(C)nc2C)c1
InChIInChI=1S/C13H14BrN3O/c1-8-4-10(6-11(14)5-8)13(18)15-12-7-17(3)16-9(12)2/h4-7H,1-3H3,(H,15,18)
InChIKeyQQEUNAGHZSLIDX-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.05
Rot. Bonds2

About 3-bromo-N-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide

3-bromo-N-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide (PubChem CID 104853786) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 3-bromo-N-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide
PubChem CID104853786
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name3-bromo-N-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2cn(C)nc2C)c1
InChIInChI=1S/C13H14BrN3O/c1-8-4-10(6-11(14)5-8)13(18)15-12-7-17(3)16-9(12)2/h4-7H,1-3H3,(H,15,18)
InChIKeyQQEUNAGHZSLIDX-UHFFFAOYSA-N
XLogP3.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-dimethylpyrazol-4-yl)-3-methylbenzamide
CID 19346010
N-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-4-methylbenzamide
CID 113358549
3-bromo-5-methyl-N-(2-methyltetrazol-5-yl)benzamide
CID 104852902
3-bromo-5-methyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide
CID 99703368
methyl 4-[(1,3-dimethylpyrazol-4-yl)carbamoyl]benzoate
CID 19346192
N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide
CID 19346004
3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide
CID 104851666
3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide
CID 104851628
3-bromo-5-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 104851756
3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide
CID 113251749
N-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide
CID 19346026
2-chloro-N-(1,3-dimethylpyrazol-4-yl)-6-propan-2-ylpyridine-4-carboxamide
CID 102804809

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide?
The IUPAC name of 3-bromo-N-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide (CID 104853786) is 3-bromo-N-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide is Cc1cc(Br)cc(C(=O)Nc2cn(C)nc2C)c1.
What is the InChIKey of 3-bromo-N-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide?
The InChIKey is QQEUNAGHZSLIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-8-4-10(6-11(14)5-8)13(18)15-12-7-17(3)16-9(12)2/h4-7H,1-3H3,(H,15,18).
What are the key properties of 3-bromo-N-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide?
3-bromo-N-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide has a molecular weight of 308.18 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide is sourced from PubChem (CID 104853786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).