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

C14H16N2O3S2 — CID 6463366

IUPAC5-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESCc1coc(C)c1C1=NN(S(C)(=O)=O)C(c2cccs2)C1
InChIInChI=1S/C14H16N2O3S2/c1-9-8-19-10(2)14(9)11-7-12(13-5-4-6-20-13)16(15-11)21(3,17)18/h4-6,8,12H,7H2,1-3H3
InChIKeyNYGRIZNHRBBNBU-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.07
Rot. Bonds3

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

5-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 6463366) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID6463366
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name5-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESCc1coc(C)c1C1=NN(S(C)(=O)=O)C(c2cccs2)C1
InChIInChI=1S/C14H16N2O3S2/c1-9-8-19-10(2)14(9)11-7-12(13-5-4-6-20-13)16(15-11)21(3,17)18/h4-6,8,12H,7H2,1-3H3
InChIKeyNYGRIZNHRBBNBU-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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Related Compounds

3-(2-Furanyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 2953454
1-acetyl-5-(2,4-dimethyl-3-furyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 2985229
3-(2,5-dimethylfuran-3-yl)-1-methanesulfonyl-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole
CID 47087855
5-(furan-2-yl)-1-methanesulfonyl-3-(thiophen-3-yl)-4,5-dihydro-1H-pyrazole
CID 91624029
3-(2-furyl)-1-(methylsulfonyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 2952900
5-(5-methylfuran-2-yl)-1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole
CID 16257286
(3R)-5-(furan-2-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 846221
(3S)-5-(furan-2-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 846222
(3R)-3-(furan-2-yl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 846225
(3S)-3-(furan-2-yl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 846226
5-(2,4-dimethyl-3-furyl)-1-(methylsulfonyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 2989505
1-acetyl-3-(2,4-dimethyl-3-furyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 6463823

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 5-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole (CID 6463366) is 5-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 5-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole is Cc1coc(C)c1C1=NN(S(C)(=O)=O)C(c2cccs2)C1.
What is the InChIKey of 5-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is NYGRIZNHRBBNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-9-8-19-10(2)14(9)11-7-12(13-5-4-6-20-13)16(15-11)21(3,17)18/h4-6,8,12H,7H2,1-3H3.
What are the key properties of 5-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole?
5-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-3-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 5-(2,4-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 6463366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).