2-methylsulfonyl-3,5-diphenyl-3,4-dihydropyrazole

C16H16N2O2S — CID 2953116

IUPAC2-methylsulfonyl-3,5-diphenyl-3,4-dihydropyrazole
SMILESCS(=O)(=O)N1N=C(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C16H16N2O2S/c1-21(19,20)18-16(14-10-6-3-7-11-14)12-15(17-18)13-8-4-2-5-9-13/h2-11,16H,12H2,1H3
InChIKeySXOLSQSTIFDBPZ-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.80
Rot. Bonds3

About 2-methylsulfonyl-3,5-diphenyl-3,4-dihydropyrazole

2-methylsulfonyl-3,5-diphenyl-3,4-dihydropyrazole (PubChem CID 2953116) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-methylsulfonyl-3,5-diphenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-methylsulfonyl-3,5-diphenyl-3,4-dihydropyrazole
PubChem CID2953116
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-methylsulfonyl-3,5-diphenyl-3,4-dihydropyrazole
SMILESCS(=O)(=O)N1N=C(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C16H16N2O2S/c1-21(19,20)18-16(14-10-6-3-7-11-14)12-15(17-18)13-8-4-2-5-9-13/h2-11,16H,12H2,1H3
InChIKeySXOLSQSTIFDBPZ-UHFFFAOYSA-N
XLogP2.80
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-3,5-diphenyl-3,4-dihydropyrazole?
The IUPAC name of 2-methylsulfonyl-3,5-diphenyl-3,4-dihydropyrazole (CID 2953116) is 2-methylsulfonyl-3,5-diphenyl-3,4-dihydropyrazole.
What is the SMILES notation for 2-methylsulfonyl-3,5-diphenyl-3,4-dihydropyrazole?
The canonical SMILES for 2-methylsulfonyl-3,5-diphenyl-3,4-dihydropyrazole is CS(=O)(=O)N1N=C(c2ccccc2)CC1c1ccccc1.
What is the InChIKey of 2-methylsulfonyl-3,5-diphenyl-3,4-dihydropyrazole?
The InChIKey is SXOLSQSTIFDBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-21(19,20)18-16(14-10-6-3-7-11-14)12-15(17-18)13-8-4-2-5-9-13/h2-11,16H,12H2,1H3.
What are the key properties of 2-methylsulfonyl-3,5-diphenyl-3,4-dihydropyrazole?
2-methylsulfonyl-3,5-diphenyl-3,4-dihydropyrazole has a molecular weight of 300.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-3,5-diphenyl-3,4-dihydropyrazole is sourced from PubChem (CID 2953116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).