N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-(2-methylphenyl)sulfanylacetamide

C21H20N4OS — CID 99703950

IUPACN-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1
InChIInChI=1S/C21H20N4OS/c1-14-6-4-5-7-19(14)27-13-20(26)23-21-15(2)16(3)24-25(21)18-10-8-17(12-22)9-11-18/h4-11H,13H2,1-3H3,(H,23,26)
InChIKeyZBRJAWOBSMYCJY-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.40
Rot. Bonds5

About N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-(2-methylphenyl)sulfanylacetamide

N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-(2-methylphenyl)sulfanylacetamide (PubChem CID 99703950) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-(2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-(2-methylphenyl)sulfanylacetamide
PubChem CID99703950
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC NameN-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1
InChIInChI=1S/C21H20N4OS/c1-14-6-4-5-7-19(14)27-13-20(26)23-21-15(2)16(3)24-25(21)18-10-8-17(12-22)9-11-18/h4-11H,13H2,1-3H3,(H,23,26)
InChIKeyZBRJAWOBSMYCJY-UHFFFAOYSA-N
XLogP4.40
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-fluoro-3-methylbenzamide
CID 154750302
N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(2-methylphenyl)sulfanylacetamide
CID 29298321
N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 52727964
2-(2-methylphenyl)sulfanyl-N-pyridin-4-ylacetamide
CID 4215609
N-(4-cyanophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 17453263
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 51151024
2-(4-amino-2-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide
CID 43302970
N'-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-N-[1-(4-cyanophenyl)-2-oxopiperidin-3-yl]oxamide
CID 166325112
N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 5051825
N-(5-cyano-4-methyl-2-phenylpyrazol-3-yl)-2-propan-2-ylsulfonylacetamide
CID 126833222
N-[(4-cyanophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 25106481
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 4549395

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-(2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-(2-methylphenyl)sulfanylacetamide (CID 99703950) is N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-(2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-(2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-(2-methylphenyl)sulfanylacetamide is Cc1ccccc1SCC(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1.
What is the InChIKey of N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-(2-methylphenyl)sulfanylacetamide?
The InChIKey is ZBRJAWOBSMYCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-14-6-4-5-7-19(14)27-13-20(26)23-21-15(2)16(3)24-25(21)18-10-8-17(12-22)9-11-18/h4-11H,13H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-(2-methylphenyl)sulfanylacetamide?
N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-(2-methylphenyl)sulfanylacetamide has a molecular weight of 376.49 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-(2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 99703950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).