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

C15H16N2O3S2 — CID 5170190

IUPAC3-(4-methoxyphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESCOc1ccc(C2CC(c3cccs3)=NN2S(C)(=O)=O)cc1
InChIInChI=1S/C15H16N2O3S2/c1-20-12-7-5-11(6-8-12)14-10-13(15-4-3-9-21-15)16-17(14)22(2,18)19/h3-9,14H,10H2,1-2H3
InChIKeyUXNAILZZZPWWKD-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.87
Rot. Bonds4

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

3-(4-methoxyphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 5170190) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID5170190
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC Name3-(4-methoxyphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESCOc1ccc(C2CC(c3cccs3)=NN2S(C)(=O)=O)cc1
InChIInChI=1S/C15H16N2O3S2/c1-20-12-7-5-11(6-8-12)14-10-13(15-4-3-9-21-15)16-17(14)22(2,18)19/h3-9,14H,10H2,1-2H3
InChIKeyUXNAILZZZPWWKD-UHFFFAOYSA-N
XLogP2.87
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 3-(4-methoxyphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole (CID 5170190) is 3-(4-methoxyphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 3-(4-methoxyphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole is COc1ccc(C2CC(c3cccs3)=NN2S(C)(=O)=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is UXNAILZZZPWWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-20-12-7-5-11(6-8-12)14-10-13(15-4-3-9-21-15)16-17(14)22(2,18)19/h3-9,14H,10H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole?
3-(4-methoxyphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 336.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 5170190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).