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

C12H12BrN3O — CID 114907640

IUPAC4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2cc(Br)ccc2C(N)=O)n1
InChIInChI=1S/C12H12BrN3O/c1-7-5-8(2)16(15-7)11-6-9(13)3-4-10(11)12(14)17/h3-6H,1-2H3,(H2,14,17)
InChIKeyUAAJQHKXALMLOB-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.35
Rot. Bonds2

About 4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzamide

4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 114907640) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID114907640
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2cc(Br)ccc2C(N)=O)n1
InChIInChI=1S/C12H12BrN3O/c1-7-5-8(2)16(15-7)11-6-9(13)3-4-10(11)12(14)17/h3-6H,1-2H3,(H2,14,17)
InChIKeyUAAJQHKXALMLOB-UHFFFAOYSA-N
XLogP2.35
TPSA60.91 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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzenecarboximidamide
CID 114904706
5-bromo-2-(3,5-dimethylpyrazol-1-yl)benzenecarbothioamide
CID 114892139
1-(5-bromo-2-methylphenyl)-3,5-dimethylpyrazole
CID 130121149
4-bromo-2-(3,5-dimethylpyrazol-1-yl)aniline
CID 12746688
4-bromo-2-(1,2,4-triazol-1-yl)benzamide
CID 115773784
N-[[4-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]ethanamine
CID 43282149
1-[5-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol
CID 82970956
2-(3,5-dimethylpyrazol-1-yl)benzenecarbothioamide
CID 28602187
2-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
CID 63811010
5-bromo-2-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide
CID 114895144
2-(benzimidazol-1-yl)-4-bromobenzamide
CID 114907649
4-bromo-2-(4-methylpiperidin-1-yl)benzamide
CID 69307708

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of 4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzamide (CID 114907640) is 4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for 4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for 4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzamide is Cc1cc(C)n(-c2cc(Br)ccc2C(N)=O)n1.
What is the InChIKey of 4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is UAAJQHKXALMLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-7-5-8(2)16(15-7)11-6-9(13)3-4-10(11)12(14)17/h3-6H,1-2H3,(H2,14,17).
What are the key properties of 4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzamide?
4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 294.15 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 114907640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).