N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide

C16H22N4OS — CID 36799477

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
SMILESCSc1ccc(CN(C)CC(=O)Nc2cc(C)nn2C)cc1
InChIInChI=1S/C16H22N4OS/c1-12-9-15(20(3)18-12)17-16(21)11-19(2)10-13-5-7-14(22-4)8-6-13/h5-9H,10-11H2,1-4H3,(H,17,21)
InChIKeyXKKVCXUGKBGRFC-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.52
Rot. Bonds6

About N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide (PubChem CID 36799477) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
PubChem CID36799477
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
SMILESCSc1ccc(CN(C)CC(=O)Nc2cc(C)nn2C)cc1
InChIInChI=1S/C16H22N4OS/c1-12-9-15(20(3)18-12)17-16(21)11-19(2)10-13-5-7-14(22-4)8-6-13/h5-9H,10-11H2,1-4H3,(H,17,21)
InChIKeyXKKVCXUGKBGRFC-UHFFFAOYSA-N
XLogP2.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2438629
N-(2-butan-2-yl-5-methylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 134705374
N-(2-fluoro-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 9221410
4-[[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 55445494
N-(3,4-dimethoxyphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 9199146
N-(3-chloro-2-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 2472619
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 4818902
2-[cycloheptyl(methyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36803387
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetic acid
CID 43386086
2-[(4-ethoxyphenyl)methyl-methylamino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 8695024
N-cyclopentyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 27099197
2-[bis(furan-2-ylmethyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36802685

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide (CID 36799477) is N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide is CSc1ccc(CN(C)CC(=O)Nc2cc(C)nn2C)cc1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The InChIKey is XKKVCXUGKBGRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-12-9-15(20(3)18-12)17-16(21)11-19(2)10-13-5-7-14(22-4)8-6-13/h5-9H,10-11H2,1-4H3,(H,17,21).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide has a molecular weight of 318.45 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 36799477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).