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

C15H16N2O2S2 — CID 2963399

IUPAC3-(2-methylphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESCc1ccccc1C1CC(c2cccs2)=NN1S(C)(=O)=O
InChIInChI=1S/C15H16N2O2S2/c1-11-6-3-4-7-12(11)14-10-13(15-8-5-9-20-15)16-17(14)21(2,18)19/h3-9,14H,10H2,1-2H3
InChIKeyJOTIOPOVHVOEDO-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.17
Rot. Bonds3

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

3-(2-methylphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 2963399) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-(2-methylphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(2-methylphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID2963399
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC Name3-(2-methylphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESCc1ccccc1C1CC(c2cccs2)=NN1S(C)(=O)=O
InChIInChI=1S/C15H16N2O2S2/c1-11-6-3-4-7-12(11)14-10-13(15-8-5-9-20-15)16-17(14)21(2,18)19/h3-9,14H,10H2,1-2H3
InChIKeyJOTIOPOVHVOEDO-UHFFFAOYSA-N
XLogP3.17
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 3-(2-methylphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole (CID 2963399) is 3-(2-methylphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(2-methylphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 3-(2-methylphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole is Cc1ccccc1C1CC(c2cccs2)=NN1S(C)(=O)=O.
What is the InChIKey of 3-(2-methylphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is JOTIOPOVHVOEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c1-11-6-3-4-7-12(11)14-10-13(15-8-5-9-20-15)16-17(14)21(2,18)19/h3-9,14H,10H2,1-2H3.
What are the key properties of 3-(2-methylphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole?
3-(2-methylphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 320.44 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 2963399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).