1-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethanone

C11H12N2OS — CID 802192

IUPAC1-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethanone
SMILESCc1cc(C)n(C(=O)Cc2cccs2)n1
InChIInChI=1S/C11H12N2OS/c1-8-6-9(2)13(12-8)11(14)7-10-4-3-5-15-10/h3-6H,7H2,1-2H3
InChIKeyAYSUIHZGDHTUBX-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.44
Rot. Bonds2

About 1-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethanone

1-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethanone (PubChem CID 802192) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethanone
PubChem CID802192
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethanone
SMILESCc1cc(C)n(C(=O)Cc2cccs2)n1
InChIInChI=1S/C11H12N2OS/c1-8-6-9(2)13(12-8)11(14)7-10-4-3-5-15-10/h3-6H,7H2,1-2H3
InChIKeyAYSUIHZGDHTUBX-UHFFFAOYSA-N
XLogP2.44
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethanone (CID 802192) is 1-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethanone is Cc1cc(C)n(C(=O)Cc2cccs2)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethanone?
The InChIKey is AYSUIHZGDHTUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-8-6-9(2)13(12-8)11(14)7-10-4-3-5-15-10/h3-6H,7H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethanone?
1-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethanone has a molecular weight of 220.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 802192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).