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

C11H20N4OS — CID 113472630

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-methylsulfanylpropan-2-yl)acetamide
SMILESCSCC(C)NC(=O)Cn1nc(C)c(N)c1C
InChIInChI=1S/C11H20N4OS/c1-7(6-17-4)13-10(16)5-15-9(3)11(12)8(2)14-15/h7H,5-6,12H2,1-4H3,(H,13,16)
InChIKeyMRRSRPUORFGJEY-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.95
Rot. Bonds5

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

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-methylsulfanylpropan-2-yl)acetamide (PubChem CID 113472630) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-methylsulfanylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-methylsulfanylpropan-2-yl)acetamide
PubChem CID113472630
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-methylsulfanylpropan-2-yl)acetamide
SMILESCSCC(C)NC(=O)Cn1nc(C)c(N)c1C
InChIInChI=1S/C11H20N4OS/c1-7(6-17-4)13-10(16)5-15-9(3)11(12)8(2)14-15/h7H,5-6,12H2,1-4H3,(H,13,16)
InChIKeyMRRSRPUORFGJEY-UHFFFAOYSA-N
XLogP0.95
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-methylsulfanylpropan-2-yl)acetamide 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

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 106347767
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)acetamide
CID 43498545
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 106281020
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 61117510
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-butan-2-ylacetamide
CID 43647498
N-butan-2-yl-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 19525213
methyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate
CID 43445168
methyl 3-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-hydroxypropanoate
CID 107211589
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide
CID 112656429
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 43445437
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-piperidin-1-ylacetamide
CID 83012956
[1-(ethylamino)-1-oxopropan-2-yl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61323327

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-methylsulfanylpropan-2-yl)acetamide?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-methylsulfanylpropan-2-yl)acetamide (CID 113472630) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-methylsulfanylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-methylsulfanylpropan-2-yl)acetamide?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-methylsulfanylpropan-2-yl)acetamide is CSCC(C)NC(=O)Cn1nc(C)c(N)c1C.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-methylsulfanylpropan-2-yl)acetamide?
The InChIKey is MRRSRPUORFGJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-7(6-17-4)13-10(16)5-15-9(3)11(12)8(2)14-15/h7H,5-6,12H2,1-4H3,(H,13,16).
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-methylsulfanylpropan-2-yl)acetamide?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-methylsulfanylpropan-2-yl)acetamide has a molecular weight of 256.37 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 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-(1-methylsulfanylpropan-2-yl)acetamide is sourced from PubChem (CID 113472630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).