N-(5-bromo-1-methylpyrazol-3-yl)-2-methylsulfanylacetamide

C7H10BrN3OS — CID 130615823

IUPACN-(5-bromo-1-methylpyrazol-3-yl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1cc(Br)n(C)n1
InChIInChI=1S/C7H10BrN3OS/c1-11-5(8)3-6(10-11)9-7(12)4-13-2/h3H,4H2,1-2H3,(H,9,10,12)
InChIKeyGUAIEYOQXOIPLA-UHFFFAOYSA-N
MW264.15 g/mol
LogP1.48
Rot. Bonds3

About N-(5-bromo-1-methylpyrazol-3-yl)-2-methylsulfanylacetamide

N-(5-bromo-1-methylpyrazol-3-yl)-2-methylsulfanylacetamide (PubChem CID 130615823) has the molecular formula C7H10BrN3OS and a molecular weight of 264.15 g/mol. Its IUPAC name is N-(5-bromo-1-methylpyrazol-3-yl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-bromo-1-methylpyrazol-3-yl)-2-methylsulfanylacetamide
PubChem CID130615823
Molecular FormulaC7H10BrN3OS
Molecular Weight264.15 g/mol
Exact Mass262.97
IUPAC NameN-(5-bromo-1-methylpyrazol-3-yl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1cc(Br)n(C)n1
InChIInChI=1S/C7H10BrN3OS/c1-11-5(8)3-6(10-11)9-7(12)4-13-2/h3H,4H2,1-2H3,(H,9,10,12)
InChIKeyGUAIEYOQXOIPLA-UHFFFAOYSA-N
XLogP1.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1-methylpyrazol-3-yl)-2-methylsulfanylacetamide?
The IUPAC name of N-(5-bromo-1-methylpyrazol-3-yl)-2-methylsulfanylacetamide (CID 130615823) is N-(5-bromo-1-methylpyrazol-3-yl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(5-bromo-1-methylpyrazol-3-yl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(5-bromo-1-methylpyrazol-3-yl)-2-methylsulfanylacetamide is CSCC(=O)Nc1cc(Br)n(C)n1.
What is the InChIKey of N-(5-bromo-1-methylpyrazol-3-yl)-2-methylsulfanylacetamide?
The InChIKey is GUAIEYOQXOIPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3OS/c1-11-5(8)3-6(10-11)9-7(12)4-13-2/h3H,4H2,1-2H3,(H,9,10,12).
What are the key properties of N-(5-bromo-1-methylpyrazol-3-yl)-2-methylsulfanylacetamide?
N-(5-bromo-1-methylpyrazol-3-yl)-2-methylsulfanylacetamide has a molecular weight of 264.15 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1-methylpyrazol-3-yl)-2-methylsulfanylacetamide is sourced from PubChem (CID 130615823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).