2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide

C19H17BrClN3OS — CID 19525421

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
SMILESCc1nn(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)c(C)c1Br
InChIInChI=1S/C19H17BrClN3OS/c1-12-19(20)13(2)24(23-12)11-18(25)22-16-5-3-4-6-17(16)26-15-9-7-14(21)8-10-15/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyISPYYJBFWQBGCX-UHFFFAOYSA-N
MW450.79 g/mol
LogP5.71
Rot. Bonds5

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide (PubChem CID 19525421) has the molecular formula C19H17BrClN3OS and a molecular weight of 450.79 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
PubChem CID19525421
Molecular FormulaC19H17BrClN3OS
Molecular Weight450.79 g/mol
Exact Mass449.00
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
SMILESCc1nn(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)c(C)c1Br
InChIInChI=1S/C19H17BrClN3OS/c1-12-19(20)13(2)24(23-12)11-18(25)22-16-5-3-4-6-17(16)26-15-9-7-14(21)8-10-15/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyISPYYJBFWQBGCX-UHFFFAOYSA-N
XLogP5.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.79
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]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-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 19523011
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 19529280
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide
CID 19525429
N-(2-benzoyl-4-chlorophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide
CID 19525433
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 19529284
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(5-ethyl-2-imino-1,3,4-thiadiazol-3-yl)acetamide
CID 2488042
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 1101534
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 3886099
[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl] 5-chloro-1,3-dimethylpyrazole-4-carboxylate
CID 46693536
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 19527008
N-(5-amino-2-methylphenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide
CID 62057473
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19525593

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide (CID 19525421) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide is Cc1nn(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)c(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide?
The InChIKey is ISPYYJBFWQBGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrClN3OS/c1-12-19(20)13(2)24(23-12)11-18(25)22-16-5-3-4-6-17(16)26-15-9-7-14(21)8-10-15/h3-10H,11H2,1-2H3,(H,22,25).
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide has a molecular weight of 450.79 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 19525421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).