N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide

C19H19N3OS — CID 78762299

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1ccccc1
InChIInChI=1S/C19H19N3OS/c1-14-19(15(2)22(21-14)16-9-5-3-6-10-16)20-18(23)13-24-17-11-7-4-8-12-17/h3-12H,13H2,1-2H3,(H,20,23)
InChIKeyHAKRUXSZZLHUQF-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.22
Rot. Bonds5

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide (PubChem CID 78762299) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide
PubChem CID78762299
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1ccccc1
InChIInChI=1S/C19H19N3OS/c1-14-19(15(2)22(21-14)16-9-5-3-6-10-16)20-18(23)13-24-17-11-7-4-8-12-17/h3-12H,13H2,1-2H3,(H,20,23)
InChIKeyHAKRUXSZZLHUQF-UHFFFAOYSA-N
XLogP4.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide 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

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528207
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-phenylanilino)acetamide
CID 39912340
2-benzhydrylsulfanyl-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 24659414
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-ethylphenyl)acetamide
CID 99632483
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(3-methylanilino)acetamide
CID 78792945
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780903
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7417567
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 34398137
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 30051226
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(N-methylanilino)acetamide
CID 8002339
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51275540
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8897851

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide (CID 78762299) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1ccccc1.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide?
The InChIKey is HAKRUXSZZLHUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-14-19(15(2)22(21-14)16-9-5-3-6-10-16)20-18(23)13-24-17-11-7-4-8-12-17/h3-12H,13H2,1-2H3,(H,20,23).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide has a molecular weight of 337.45 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 78762299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).