2-(2-bromo-4,5-diethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide

C21H22BrN3O3 — CID 55537078

IUPAC2-(2-bromo-4,5-diethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
SMILESCCOc1cc(Br)c(CC(=O)Nc2ccn(-c3ccccc3)n2)cc1OCC
InChIInChI=1S/C21H22BrN3O3/c1-3-27-18-12-15(17(22)14-19(18)28-4-2)13-21(26)23-20-10-11-25(24-20)16-8-6-5-7-9-16/h5-12,14H,3-4,13H2,1-2H3,(H,23,24,26)
InChIKeyLYGJOQHFZPOBKG-UHFFFAOYSA-N
MW444.33 g/mol
LogP4.61
Rot. Bonds8

About 2-(2-bromo-4,5-diethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide

2-(2-bromo-4,5-diethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide (PubChem CID 55537078) has the molecular formula C21H22BrN3O3 and a molecular weight of 444.33 g/mol. Its IUPAC name is 2-(2-bromo-4,5-diethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,5-diethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
PubChem CID55537078
Molecular FormulaC21H22BrN3O3
Molecular Weight444.33 g/mol
Exact Mass443.08
IUPAC Name2-(2-bromo-4,5-diethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
SMILESCCOc1cc(Br)c(CC(=O)Nc2ccn(-c3ccccc3)n2)cc1OCC
InChIInChI=1S/C21H22BrN3O3/c1-3-27-18-12-15(17(22)14-19(18)28-4-2)13-21(26)23-20-10-11-25(24-20)16-8-6-5-7-9-16/h5-12,14H,3-4,13H2,1-2H3,(H,23,24,26)
InChIKeyLYGJOQHFZPOBKG-UHFFFAOYSA-N
XLogP4.61
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.33
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromo-4,5-diethoxyphenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 16575362
2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135315862
2-(3-fluoro-4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135315910
N-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 27648826
2-(2-bromo-4,5-diethoxyphenyl)-N-(3-methylphenyl)acetamide
CID 9039211
2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55907363
2-(2-bromo-4,5-diethoxyphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
CID 60599214
N-(1H-benzimidazol-2-yl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 27649615
2-(1-methylpyrrol-2-yl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135315845
N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 24673330
2-(2-bromo-4,5-diethoxyphenyl)-N-(2-phenoxyethyl)acetamide
CID 32933896
N-(1-phenylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 135315885

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide (CID 55537078) is 2-(2-bromo-4,5-diethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4,5-diethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4,5-diethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide is CCOc1cc(Br)c(CC(=O)Nc2ccn(-c3ccccc3)n2)cc1OCC.
What is the InChIKey of 2-(2-bromo-4,5-diethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide?
The InChIKey is LYGJOQHFZPOBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN3O3/c1-3-27-18-12-15(17(22)14-19(18)28-4-2)13-21(26)23-20-10-11-25(24-20)16-8-6-5-7-9-16/h5-12,14H,3-4,13H2,1-2H3,(H,23,24,26).
What are the key properties of 2-(2-bromo-4,5-diethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide?
2-(2-bromo-4,5-diethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide has a molecular weight of 444.33 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-diethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide is sourced from PubChem (CID 55537078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).