1-[5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone

C15H16N2O2S — CID 6463823

IUPAC1-[5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2c(C)coc2C)CC1c1cccs1
InChIInChI=1S/C15H16N2O2S/c1-9-8-19-10(2)15(9)12-7-13(14-5-4-6-20-14)17(16-12)11(3)18/h4-6,8,13H,7H2,1-3H3
InChIKeyIUOLAFFWGPBMBA-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.66
Rot. Bonds2

About 1-[5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone

1-[5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 6463823) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID6463823
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name1-[5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2c(C)coc2C)CC1c1cccs1
InChIInChI=1S/C15H16N2O2S/c1-9-8-19-10(2)15(9)12-7-13(14-5-4-6-20-14)17(16-12)11(3)18/h4-6,8,13H,7H2,1-3H3
InChIKeyIUOLAFFWGPBMBA-UHFFFAOYSA-N
XLogP3.66
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone 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-[5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone (CID 6463823) is 1-[5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone is CC(=O)N1N=C(c2c(C)coc2C)CC1c1cccs1.
What is the InChIKey of 1-[5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is IUOLAFFWGPBMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-9-8-19-10(2)15(9)12-7-13(14-5-4-6-20-14)17(16-12)11(3)18/h4-6,8,13H,7H2,1-3H3.
What are the key properties of 1-[5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone?
1-[5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 288.37 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 6463823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).