4-(methylsulfonylmethyl)-5-thiophen-2-yl-1H-pyrazole

C9H10N2O2S2 — CID 57269472

IUPAC4-(methylsulfonylmethyl)-5-thiophen-2-yl-1H-pyrazole
SMILESCS(=O)(=O)Cc1cn[nH]c1-c1cccs1
InChIInChI=1S/C9H10N2O2S2/c1-15(12,13)6-7-5-10-11-9(7)8-3-2-4-14-8/h2-5H,6H2,1H3,(H,10,11)
InChIKeyNGTNSIPAQJKCFD-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.68
Rot. Bonds3

About 4-(methylsulfonylmethyl)-5-thiophen-2-yl-1H-pyrazole

4-(methylsulfonylmethyl)-5-thiophen-2-yl-1H-pyrazole (PubChem CID 57269472) has the molecular formula C9H10N2O2S2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)-5-thiophen-2-yl-1H-pyrazole.

Molecular Properties

Compound Name4-(methylsulfonylmethyl)-5-thiophen-2-yl-1H-pyrazole
PubChem CID57269472
Molecular FormulaC9H10N2O2S2
Molecular Weight242.32 g/mol
Exact Mass242.02
IUPAC Name4-(methylsulfonylmethyl)-5-thiophen-2-yl-1H-pyrazole
SMILESCS(=O)(=O)Cc1cn[nH]c1-c1cccs1
InChIInChI=1S/C9H10N2O2S2/c1-15(12,13)6-7-5-10-11-9(7)8-3-2-4-14-8/h2-5H,6H2,1H3,(H,10,11)
InChIKeyNGTNSIPAQJKCFD-UHFFFAOYSA-N
XLogP1.68
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfonylmethyl)-5-thiophen-2-yl-1H-pyrazole?
The IUPAC name of 4-(methylsulfonylmethyl)-5-thiophen-2-yl-1H-pyrazole (CID 57269472) is 4-(methylsulfonylmethyl)-5-thiophen-2-yl-1H-pyrazole.
What is the SMILES notation for 4-(methylsulfonylmethyl)-5-thiophen-2-yl-1H-pyrazole?
The canonical SMILES for 4-(methylsulfonylmethyl)-5-thiophen-2-yl-1H-pyrazole is CS(=O)(=O)Cc1cn[nH]c1-c1cccs1.
What is the InChIKey of 4-(methylsulfonylmethyl)-5-thiophen-2-yl-1H-pyrazole?
The InChIKey is NGTNSIPAQJKCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S2/c1-15(12,13)6-7-5-10-11-9(7)8-3-2-4-14-8/h2-5H,6H2,1H3,(H,10,11).
What are the key properties of 4-(methylsulfonylmethyl)-5-thiophen-2-yl-1H-pyrazole?
4-(methylsulfonylmethyl)-5-thiophen-2-yl-1H-pyrazole has a molecular weight of 242.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonylmethyl)-5-thiophen-2-yl-1H-pyrazole is sourced from PubChem (CID 57269472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).