2-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide

C12H12BrN3O — CID 39854030

IUPAC2-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2Br)nn1C
InChIInChI=1S/C12H12BrN3O/c1-8-7-11(15-16(8)2)14-12(17)9-5-3-4-6-10(9)13/h3-7H,1-2H3,(H,14,15,17)
InChIKeyXGOLUNITGARNFX-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.74
Rot. Bonds2

About 2-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide

2-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide (PubChem CID 39854030) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 2-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide
PubChem CID39854030
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name2-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2Br)nn1C
InChIInChI=1S/C12H12BrN3O/c1-8-7-11(15-16(8)2)14-12(17)9-5-3-4-6-10(9)13/h3-7H,1-2H3,(H,14,15,17)
InChIKeyXGOLUNITGARNFX-UHFFFAOYSA-N
XLogP2.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide
CID 35761193
2-bromo-N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide
CID 42880595
2-bromo-N-(1,5-dimethylpyrazol-3-yl)acetamide
CID 130496766
N'-(2-bromobenzoyl)-2,5-dimethylpyrazole-3-carbohydrazide
CID 87023377
2-bromo-N-(3,5-dimethylphenyl)benzamide
CID 710587
2-bromo-N-(2-methyltetrazol-5-yl)benzamide
CID 953438
2-bromo-6-[(1,5-dimethylpyrazol-3-yl)amino]benzoic acid
CID 114253920
N-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide
CID 35761194
2-bromo-N-[1-(4-chlorophenyl)-5-ethylpyrazol-3-yl]benzamide
CID 46106953
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
2-bromo-N-(6-bromo-2-pyridinyl)benzamide
CID 43520587
N-[(2-bromophenyl)methyl]-1,5-dimethylpyrazol-3-amine
CID 115751708

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide?
The IUPAC name of 2-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide (CID 39854030) is 2-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2ccccc2Br)nn1C.
What is the InChIKey of 2-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide?
The InChIKey is XGOLUNITGARNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-8-7-11(15-16(8)2)14-12(17)9-5-3-4-6-10(9)13/h3-7H,1-2H3,(H,14,15,17).
What are the key properties of 2-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide?
2-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide has a molecular weight of 294.15 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide is sourced from PubChem (CID 39854030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).