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

C23H26BrN3O3 — CID 16575362

IUPAC2-(2-bromo-4,5-diethoxyphenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCCOc1cc(Br)c(CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1OCC
InChIInChI=1S/C23H26BrN3O3/c1-5-29-20-12-17(19(24)14-21(20)30-6-2)13-22(28)25-23-15(3)26-27(16(23)4)18-10-8-7-9-11-18/h7-12,14H,5-6,13H2,1-4H3,(H,25,28)
InChIKeyWCLALBXNQVMTFQ-UHFFFAOYSA-N
MW472.38 g/mol
LogP5.23
Rot. Bonds8

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

2-(2-bromo-4,5-diethoxyphenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (PubChem CID 16575362) has the molecular formula C23H26BrN3O3 and a molecular weight of 472.38 g/mol. Its IUPAC name is 2-(2-bromo-4,5-diethoxyphenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,5-diethoxyphenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
PubChem CID16575362
Molecular FormulaC23H26BrN3O3
Molecular Weight472.38 g/mol
Exact Mass471.12
IUPAC Name2-(2-bromo-4,5-diethoxyphenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCCOc1cc(Br)c(CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1OCC
InChIInChI=1S/C23H26BrN3O3/c1-5-29-20-12-17(19(24)14-21(20)30-6-2)13-22(28)25-23-15(3)26-27(16(23)4)18-10-8-7-9-11-18/h7-12,14H,5-6,13H2,1-4H3,(H,25,28)
InChIKeyWCLALBXNQVMTFQ-UHFFFAOYSA-N
XLogP5.23
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.38
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-bromo-4,5-diethoxyphenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromo-4,5-diethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 55537078
2-[[(1S)-1-(3,4-diethoxyphenyl)-2-methylpropyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 34730526
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-ethylphenyl)acetamide
CID 99632483
2-(2-bromo-4,5-diethoxyphenyl)-N-(3-methylphenyl)acetamide
CID 9039211
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide
CID 78762299
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 30062265
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(3-methylanilino)acetamide
CID 78792945
N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 24673330
N-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 27648826
2-(2,4-dichlorophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 2469908
2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55907363
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 16575272

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (CID 16575362) is 2-(2-bromo-4,5-diethoxyphenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4,5-diethoxyphenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4,5-diethoxyphenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is CCOc1cc(Br)c(CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1OCC.
What is the InChIKey of 2-(2-bromo-4,5-diethoxyphenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The InChIKey is WCLALBXNQVMTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN3O3/c1-5-29-20-12-17(19(24)14-21(20)30-6-2)13-22(28)25-23-15(3)26-27(16(23)4)18-10-8-7-9-11-18/h7-12,14H,5-6,13H2,1-4H3,(H,25,28).
What are the key properties of 2-(2-bromo-4,5-diethoxyphenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
2-(2-bromo-4,5-diethoxyphenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide has a molecular weight of 472.38 g/mol, XLogP of 5.23, 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-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 16575362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).