2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide

C13H14BrN3O — CID 80974367

IUPAC2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2cc(C)nn2C)c1
InChIInChI=1S/C13H14BrN3O/c1-8-4-5-11(14)10(6-8)13(18)15-12-7-9(2)16-17(12)3/h4-7H,1-3H3,(H,15,18)
InChIKeyABRBPAXHGMBHBP-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.05
Rot. Bonds2

About 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide

2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide (PubChem CID 80974367) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide
PubChem CID80974367
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2cc(C)nn2C)c1
InChIInChI=1S/C13H14BrN3O/c1-8-4-5-11(14)10(6-8)13(18)15-12-7-9(2)16-17(12)3/h4-7H,1-3H3,(H,15,18)
InChIKeyABRBPAXHGMBHBP-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-(2,5-dimethylpyrazol-3-yl)-5-methyl-2-(methylamino)benzamide
CID 55083084
N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide
CID 62650484
2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602
2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 45284555
2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoate
CID 6930153
N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroxybenzamide
CID 114343847
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-6-fluorobenzamide
CID 115678351
4-bromo-N-(2,5-dimethylpyrazol-3-yl)-2-(trifluoromethyl)benzamide
CID 103924603
2-bromo-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide
CID 55481146
2-bromo-5-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 81111625
3-N,4-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097892
2-bromo-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116787216

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide?
The IUPAC name of 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide (CID 80974367) is 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide is Cc1ccc(Br)c(C(=O)Nc2cc(C)nn2C)c1.
What is the InChIKey of 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide?
The InChIKey is ABRBPAXHGMBHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-8-4-5-11(14)10(6-8)13(18)15-12-7-9(2)16-17(12)3/h4-7H,1-3H3,(H,15,18).
What are the key properties of 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide?
2-bromo-N-(2,5-dimethylpyrazol-3-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 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide is sourced from PubChem (CID 80974367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).