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

C16H18BrN3O2 — CID 19559886

IUPACN-(4-acetylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCn2nc(C)c(Br)c2C)cc1
InChIInChI=1S/C16H18BrN3O2/c1-10-16(17)11(2)20(19-10)9-8-15(22)18-14-6-4-13(5-7-14)12(3)21/h4-7H,8-9H2,1-3H3,(H,18,22)
InChIKeyKZJIMSUJCDOHRZ-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.49
Rot. Bonds5

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

N-(4-acetylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 19559886) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID19559886
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC NameN-(4-acetylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCn2nc(C)c(Br)c2C)cc1
InChIInChI=1S/C16H18BrN3O2/c1-10-16(17)11(2)20(19-10)9-8-15(22)18-14-6-4-13(5-7-14)12(3)21/h4-7H,8-9H2,1-3H3,(H,18,22)
InChIKeyKZJIMSUJCDOHRZ-UHFFFAOYSA-N
XLogP3.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 19559927
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,6-dichlorophenyl)propanamide
CID 19559871
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-carbamothioylphenyl)acetamide
CID 62128720
N-(3-amino-2-methylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 62129891
N-(2-benzoylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 35322733
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide
CID 19561563
N-(4-acetylphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689025
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 15943425
N-(5-amino-2-fluorophenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 62128370
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 19561544
N-(4-acetamidophenyl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide
CID 19570101
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-methoxy-5-nitrophenyl)propanamide
CID 19559932

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide (CID 19559886) is N-(4-acetylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide is CC(=O)c1ccc(NC(=O)CCn2nc(C)c(Br)c2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is KZJIMSUJCDOHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2/c1-10-16(17)11(2)20(19-10)9-8-15(22)18-14-6-4-13(5-7-14)12(3)21/h4-7H,8-9H2,1-3H3,(H,18,22).
What are the key properties of N-(4-acetylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide?
N-(4-acetylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 364.24 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19559886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).