(2,5-dimethylfuran-3-yl)-(4-methyl-3-thiophen-2-ylpyrazol-1-yl)methanone

C15H14N2O2S — CID 2742934

IUPAC(2,5-dimethylfuran-3-yl)-(4-methyl-3-thiophen-2-ylpyrazol-1-yl)methanone
SMILESCc1cc(C(=O)n2cc(C)c(-c3cccs3)n2)c(C)o1
InChIInChI=1S/C15H14N2O2S/c1-9-8-17(16-14(9)13-5-4-6-20-13)15(18)12-7-10(2)19-11(12)3/h4-8H,1-3H3
InChIKeyQVQOFRRHAWWCIM-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.82
Rot. Bonds2

About (2,5-dimethylfuran-3-yl)-(4-methyl-3-thiophen-2-ylpyrazol-1-yl)methanone

(2,5-dimethylfuran-3-yl)-(4-methyl-3-thiophen-2-ylpyrazol-1-yl)methanone (PubChem CID 2742934) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(4-methyl-3-thiophen-2-ylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(4-methyl-3-thiophen-2-ylpyrazol-1-yl)methanone
PubChem CID2742934
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name(2,5-dimethylfuran-3-yl)-(4-methyl-3-thiophen-2-ylpyrazol-1-yl)methanone
SMILESCc1cc(C(=O)n2cc(C)c(-c3cccs3)n2)c(C)o1
InChIInChI=1S/C15H14N2O2S/c1-9-8-17(16-14(9)13-5-4-6-20-13)15(18)12-7-10(2)19-11(12)3/h4-8H,1-3H3
InChIKeyQVQOFRRHAWWCIM-UHFFFAOYSA-N
XLogP3.82
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(4-methyl-3-thiophen-2-ylpyrazol-1-yl)methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(4-methyl-3-thiophen-2-ylpyrazol-1-yl)methanone (CID 2742934) is (2,5-dimethylfuran-3-yl)-(4-methyl-3-thiophen-2-ylpyrazol-1-yl)methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(4-methyl-3-thiophen-2-ylpyrazol-1-yl)methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(4-methyl-3-thiophen-2-ylpyrazol-1-yl)methanone is Cc1cc(C(=O)n2cc(C)c(-c3cccs3)n2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(4-methyl-3-thiophen-2-ylpyrazol-1-yl)methanone?
The InChIKey is QVQOFRRHAWWCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-9-8-17(16-14(9)13-5-4-6-20-13)15(18)12-7-10(2)19-11(12)3/h4-8H,1-3H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(4-methyl-3-thiophen-2-ylpyrazol-1-yl)methanone?
(2,5-dimethylfuran-3-yl)-(4-methyl-3-thiophen-2-ylpyrazol-1-yl)methanone has a molecular weight of 286.36 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(4-methyl-3-thiophen-2-ylpyrazol-1-yl)methanone is sourced from PubChem (CID 2742934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).