2-(4-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide

C15H18BrN3O — CID 115589896

IUPAC2-(4-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C15H18BrN3O/c1-15(2,3)12-9-13(19-18-12)17-14(20)8-10-4-6-11(16)7-5-10/h4-7,9H,8H2,1-3H3,(H2,17,18,19,20)
InChIKeyGOJWHVSTHAZNLS-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.65
Rot. Bonds3

About 2-(4-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide

2-(4-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide (PubChem CID 115589896) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
PubChem CID115589896
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name2-(4-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C15H18BrN3O/c1-15(2,3)12-9-13(19-18-12)17-14(20)8-10-4-6-11(16)7-5-10/h4-7,9H,8H2,1-3H3,(H2,17,18,19,20)
InChIKeyGOJWHVSTHAZNLS-UHFFFAOYSA-N
XLogP3.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60551609
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-hydroxyphenyl)acetamide
CID 115603580
3-(3-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide
CID 115589940
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-2-carboxamide
CID 112688842
2-[2-(aminomethyl)phenyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 104618499
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
CID 47067672
4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxybenzamide
CID 115603581
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
CID 104619985
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(hydroxymethyl)benzamide
CID 104620011
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-iodobenzamide
CID 104619953
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433629
2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 112686897

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide (CID 115589896) is 2-(4-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide is CC(C)(C)c1cc(NC(=O)Cc2ccc(Br)cc2)n[nH]1.
What is the InChIKey of 2-(4-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is GOJWHVSTHAZNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-15(2,3)12-9-13(19-18-12)17-14(20)8-10-4-6-11(16)7-5-10/h4-7,9H,8H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-(4-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide?
2-(4-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 336.23 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 115589896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).