2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide

C13H24N4OS — CID 112656429

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide
SMILESCCC(CSC)N(C)C(=O)Cn1nc(C)c(N)c1C
InChIInChI=1S/C13H24N4OS/c1-6-11(8-19-5)16(4)12(18)7-17-10(3)13(14)9(2)15-17/h11H,6-8,14H2,1-5H3
InChIKeyFJUPGVGJUPEITB-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.68
Rot. Bonds6

About 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide (PubChem CID 112656429) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide
PubChem CID112656429
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide
SMILESCCC(CSC)N(C)C(=O)Cn1nc(C)c(N)c1C
InChIInChI=1S/C13H24N4OS/c1-6-11(8-19-5)16(4)12(18)7-17-10(3)13(14)9(2)15-17/h11H,6-8,14H2,1-5H3
InChIKeyFJUPGVGJUPEITB-UHFFFAOYSA-N
XLogP1.68
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-propylacetamide
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(1-amino-1-oxobutan-2-yl) 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
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2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79384572
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyridin-4-ylacetamide
CID 106934214
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-methoxyethyl)acetamide
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2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)acetamide
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2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(cyclobutylmethyl)-N-ethylacetamide
CID 107396881
3-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide
CID 112659204
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(3-methylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide (CID 112656429) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide is CCC(CSC)N(C)C(=O)Cn1nc(C)c(N)c1C.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide?
The InChIKey is FJUPGVGJUPEITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-6-11(8-19-5)16(4)12(18)7-17-10(3)13(14)9(2)15-17/h11H,6-8,14H2,1-5H3.
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide has a molecular weight of 284.43 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide is sourced from PubChem (CID 112656429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).