2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-thiophen-3-ylacetamide

C11H14N4OS — CID 66351630

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-thiophen-3-ylacetamide
SMILESCc1nn(CC(=O)Nc2ccsc2)c(C)c1N
InChIInChI=1S/C11H14N4OS/c1-7-11(12)8(2)15(14-7)5-10(16)13-9-3-4-17-6-9/h3-4,6H,5,12H2,1-2H3,(H,13,16)
InChIKeyJZBHMJTYSUPXKA-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.78
Rot. Bonds3

About 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-thiophen-3-ylacetamide

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-thiophen-3-ylacetamide (PubChem CID 66351630) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-thiophen-3-ylacetamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-thiophen-3-ylacetamide
PubChem CID66351630
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-thiophen-3-ylacetamide
SMILESCc1nn(CC(=O)Nc2ccsc2)c(C)c1N
InChIInChI=1S/C11H14N4OS/c1-7-11(12)8(2)15(14-7)5-10(16)13-9-3-4-17-6-9/h3-4,6H,5,12H2,1-2H3,(H,13,16)
InChIKeyJZBHMJTYSUPXKA-UHFFFAOYSA-N
XLogP1.78
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-thiophen-3-ylacetamide?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-thiophen-3-ylacetamide (CID 66351630) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-thiophen-3-ylacetamide.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-thiophen-3-ylacetamide?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-thiophen-3-ylacetamide is Cc1nn(CC(=O)Nc2ccsc2)c(C)c1N.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-thiophen-3-ylacetamide?
The InChIKey is JZBHMJTYSUPXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-7-11(12)8(2)15(14-7)5-10(16)13-9-3-4-17-6-9/h3-4,6H,5,12H2,1-2H3,(H,13,16).
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-thiophen-3-ylacetamide?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-thiophen-3-ylacetamide has a molecular weight of 250.33 g/mol, XLogP of 1.78, 3 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-thiophen-3-ylacetamide is sourced from PubChem (CID 66351630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).