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

C16H18N2O4S2 — CID 3154268

IUPAC5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)cc1OC
InChIInChI=1S/C16H18N2O4S2/c1-21-14-7-6-11(9-15(14)22-2)12-10-13(16-5-4-8-23-16)18(17-12)24(3,19)20/h4-9,13H,10H2,1-3H3
InChIKeyAYJHACKOWMKGLK-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.88
Rot. Bonds5

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

5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 3154268) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID3154268
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC Name5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)cc1OC
InChIInChI=1S/C16H18N2O4S2/c1-21-14-7-6-11(9-15(14)22-2)12-10-13(16-5-4-8-23-16)18(17-12)24(3,19)20/h4-9,13H,10H2,1-3H3
InChIKeyAYJHACKOWMKGLK-UHFFFAOYSA-N
XLogP2.88
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole (CID 3154268) is 5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole is COc1ccc(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is AYJHACKOWMKGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-21-14-7-6-11(9-15(14)22-2)12-10-13(16-5-4-8-23-16)18(17-12)24(3,19)20/h4-9,13H,10H2,1-3H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole?
5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 366.46 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 3154268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).