N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpropanamide

C16H23N5OS — CID 118774039

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpropanamide
SMILESCc1cc(C)nc(SC(C)C(=O)N(C)Cc2c(C)n[nH]c2C)n1
InChIInChI=1S/C16H23N5OS/c1-9-7-10(2)18-16(17-9)23-13(5)15(22)21(6)8-14-11(3)19-20-12(14)4/h7,13H,8H2,1-6H3,(H,19,20)
InChIKeyZGPUSRDLYVDUOB-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.57
Rot. Bonds5

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpropanamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpropanamide (PubChem CID 118774039) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpropanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpropanamide
PubChem CID118774039
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpropanamide
SMILESCc1cc(C)nc(SC(C)C(=O)N(C)Cc2c(C)n[nH]c2C)n1
InChIInChI=1S/C16H23N5OS/c1-9-7-10(2)18-16(17-9)23-13(5)15(22)21(6)8-14-11(3)19-20-12(14)4/h7,13H,8H2,1-6H3,(H,19,20)
InChIKeyZGPUSRDLYVDUOB-UHFFFAOYSA-N
XLogP2.57
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpropanamide with MolForge

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Related Compounds

(2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 125156880
4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]butan-2-ol
CID 115883095
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide
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2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide
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2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 46998441
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CID 118767272
N-benzyl-N-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
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2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylpropanamide
CID 134000058
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethyl-N-(2-phenylethyl)propanamide
CID 71867002
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 118791937
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 23743258
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea
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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpropanamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpropanamide (CID 118774039) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpropanamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpropanamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpropanamide is Cc1cc(C)nc(SC(C)C(=O)N(C)Cc2c(C)n[nH]c2C)n1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpropanamide?
The InChIKey is ZGPUSRDLYVDUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-9-7-10(2)18-16(17-9)23-13(5)15(22)21(6)8-14-11(3)19-20-12(14)4/h7,13H,8H2,1-6H3,(H,19,20).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpropanamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpropanamide has a molecular weight of 333.46 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpropanamide is sourced from PubChem (CID 118774039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).