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

C15H16N2O2S2 — CID 4311525

IUPAC5-(4-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESCc1ccc(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)cc1
InChIInChI=1S/C15H16N2O2S2/c1-11-5-7-12(8-6-11)13-10-14(15-4-3-9-20-15)17(16-13)21(2,18)19/h3-9,14H,10H2,1-2H3
InChIKeyIOUORVYECQCYHG-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.17
Rot. Bonds3

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

5-(4-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 4311525) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID4311525
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC Name5-(4-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESCc1ccc(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)cc1
InChIInChI=1S/C15H16N2O2S2/c1-11-5-7-12(8-6-11)13-10-14(15-4-3-9-20-15)17(16-13)21(2,18)19/h3-9,14H,10H2,1-2H3
InChIKeyIOUORVYECQCYHG-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 5-(4-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 5-(4-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole (CID 4311525) is 5-(4-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(4-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 5-(4-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole is Cc1ccc(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is IOUORVYECQCYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c1-11-5-7-12(8-6-11)13-10-14(15-4-3-9-20-15)17(16-13)21(2,18)19/h3-9,14H,10H2,1-2H3.
What are the key properties of 5-(4-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole?
5-(4-methylphenyl)-2-methylsulfonyl-3-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 5-(4-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 4311525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).