N-(4-acetylphenyl)-3-(4-bromopyrazol-1-yl)-2-methylpropanamide

C15H16BrN3O2 — CID 19564606

IUPACN-(4-acetylphenyl)-3-(4-bromopyrazol-1-yl)-2-methylpropanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)Cn2cc(Br)cn2)cc1
InChIInChI=1S/C15H16BrN3O2/c1-10(8-19-9-13(16)7-17-19)15(21)18-14-5-3-12(4-6-14)11(2)20/h3-7,9-10H,8H2,1-2H3,(H,18,21)
InChIKeyHJQXWEYAMXPUSC-UHFFFAOYSA-N
MW350.22 g/mol
LogP3.12
Rot. Bonds5

About N-(4-acetylphenyl)-3-(4-bromopyrazol-1-yl)-2-methylpropanamide

N-(4-acetylphenyl)-3-(4-bromopyrazol-1-yl)-2-methylpropanamide (PubChem CID 19564606) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(4-bromopyrazol-1-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(4-bromopyrazol-1-yl)-2-methylpropanamide
PubChem CID19564606
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC NameN-(4-acetylphenyl)-3-(4-bromopyrazol-1-yl)-2-methylpropanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)Cn2cc(Br)cn2)cc1
InChIInChI=1S/C15H16BrN3O2/c1-10(8-19-9-13(16)7-17-19)15(21)18-14-5-3-12(4-6-14)11(2)20/h3-7,9-10H,8H2,1-2H3,(H,18,21)
InChIKeyHJQXWEYAMXPUSC-UHFFFAOYSA-N
XLogP3.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(4-bromopyrazol-1-yl)-2-methylpropanamide?
The IUPAC name of N-(4-acetylphenyl)-3-(4-bromopyrazol-1-yl)-2-methylpropanamide (CID 19564606) is N-(4-acetylphenyl)-3-(4-bromopyrazol-1-yl)-2-methylpropanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(4-bromopyrazol-1-yl)-2-methylpropanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(4-bromopyrazol-1-yl)-2-methylpropanamide is CC(=O)c1ccc(NC(=O)C(C)Cn2cc(Br)cn2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(4-bromopyrazol-1-yl)-2-methylpropanamide?
The InChIKey is HJQXWEYAMXPUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-10(8-19-9-13(16)7-17-19)15(21)18-14-5-3-12(4-6-14)11(2)20/h3-7,9-10H,8H2,1-2H3,(H,18,21).
What are the key properties of N-(4-acetylphenyl)-3-(4-bromopyrazol-1-yl)-2-methylpropanamide?
N-(4-acetylphenyl)-3-(4-bromopyrazol-1-yl)-2-methylpropanamide has a molecular weight of 350.22 g/mol, XLogP of 3.12, 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-bromopyrazol-1-yl)-2-methylpropanamide is sourced from PubChem (CID 19564606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).