3-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole

C14H16N2O3S2 — CID 2989505

IUPAC3-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESCc1coc(C)c1C1CC(c2cccs2)=NN1S(C)(=O)=O
InChIInChI=1S/C14H16N2O3S2/c1-9-8-19-10(2)14(9)12-7-11(13-5-4-6-20-13)15-16(12)21(3,17)18/h4-6,8,12H,7H2,1-3H3
InChIKeyVXQAJNFHBHASON-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.07
Rot. Bonds3

About 3-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole

3-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 2989505) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID2989505
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name3-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESCc1coc(C)c1C1CC(c2cccs2)=NN1S(C)(=O)=O
InChIInChI=1S/C14H16N2O3S2/c1-9-8-19-10(2)14(9)12-7-11(13-5-4-6-20-13)15-16(12)21(3,17)18/h4-6,8,12H,7H2,1-3H3
InChIKeyVXQAJNFHBHASON-UHFFFAOYSA-N
XLogP3.07
TPSA62.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 3-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole (CID 2989505) is 3-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 3-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole is Cc1coc(C)c1C1CC(c2cccs2)=NN1S(C)(=O)=O.
What is the InChIKey of 3-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is VXQAJNFHBHASON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-9-8-19-10(2)14(9)12-7-11(13-5-4-6-20-13)15-16(12)21(3,17)18/h4-6,8,12H,7H2,1-3H3.
What are the key properties of 3-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole?
3-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 324.43 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 2989505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).