2-(4-bromopyrazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C15H18BrN3O — CID 52666291

IUPAC2-(4-bromopyrazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)Cn1cc(Br)cn1
InChIInChI=1S/C15H18BrN3O/c1-10(2)13-6-4-5-11(3)15(13)18-14(20)9-19-8-12(16)7-17-19/h4-8,10H,9H2,1-3H3,(H,18,20)
InChIKeyUSJZJKWLGADPTL-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.72
Rot. Bonds4

About 2-(4-bromopyrazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-(4-bromopyrazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 52666291) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID52666291
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name2-(4-bromopyrazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)Cn1cc(Br)cn1
InChIInChI=1S/C15H18BrN3O/c1-10(2)13-6-4-5-11(3)15(13)18-14(20)9-19-8-12(16)7-17-19/h4-8,10H,9H2,1-3H3,(H,18,20)
InChIKeyUSJZJKWLGADPTL-UHFFFAOYSA-N
XLogP3.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 31202356
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
N-(5-bromo-2-pyridinyl)-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55816727
2-(4-formyl-5-methyltriazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 82202141
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
2-(4-acetylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8904334
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8726239
2-(5-amino-2-oxo-1-pyridinyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 82031682
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 40696125
N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 60648439
N-(2-amino-6-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 60872327
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 52666291) is 2-(4-bromopyrazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide is Cc1cccc(C(C)C)c1NC(=O)Cn1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is USJZJKWLGADPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-10(2)13-6-4-5-11(3)15(13)18-14(20)9-19-8-12(16)7-17-19/h4-8,10H,9H2,1-3H3,(H,18,20).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-(4-bromopyrazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 336.23 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 52666291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).