4-(5-ethylsulfonylthiophen-2-yl)-5-methyl-1H-pyrazole

C10H12N2O2S2 — CID 122557475

IUPAC4-(5-ethylsulfonylthiophen-2-yl)-5-methyl-1H-pyrazole
SMILESCCS(=O)(=O)c1ccc(-c2cn[nH]c2C)s1
InChIInChI=1S/C10H12N2O2S2/c1-3-16(13,14)10-5-4-9(15-10)8-6-11-12-7(8)2/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyOPZIRCUDHRAICF-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.24
Rot. Bonds3

About 4-(5-ethylsulfonylthiophen-2-yl)-5-methyl-1H-pyrazole

4-(5-ethylsulfonylthiophen-2-yl)-5-methyl-1H-pyrazole (PubChem CID 122557475) has the molecular formula C10H12N2O2S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(5-ethylsulfonylthiophen-2-yl)-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name4-(5-ethylsulfonylthiophen-2-yl)-5-methyl-1H-pyrazole
PubChem CID122557475
Molecular FormulaC10H12N2O2S2
Molecular Weight256.35 g/mol
Exact Mass256.03
IUPAC Name4-(5-ethylsulfonylthiophen-2-yl)-5-methyl-1H-pyrazole
SMILESCCS(=O)(=O)c1ccc(-c2cn[nH]c2C)s1
InChIInChI=1S/C10H12N2O2S2/c1-3-16(13,14)10-5-4-9(15-10)8-6-11-12-7(8)2/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyOPZIRCUDHRAICF-UHFFFAOYSA-N
XLogP2.24
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-Thienyl)pyrazole
CID 340711
3-(2,5-dimethyl-3-thienyl)-1H-pyrazole
CID 3818016
Cyto6G4
CID 2822152
US10807974, Example 127
CID 130345071
N-(1H-indazol-4-yl)-2-thiophenesulfonamide
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5-(3-Thienyl)-1h-pyrazole
CID 729699
N-[(4-fluorophenyl)methyl]-5-(3-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 20947468
1-{[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl}-4-methylpiperazine
CID 20947561
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide
CID 20947603
n-((3-(Thiophen-2-yl)-1h-pyrazol-4-yl)methyl)propan-1-amine
CID 25479412
(3S)-3-(4-methyl-1H-pyrazol-5-yl)-1-thiophen-3-ylsulfonylpiperidine
CID 42276151
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43435361

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylsulfonylthiophen-2-yl)-5-methyl-1H-pyrazole?
The IUPAC name of 4-(5-ethylsulfonylthiophen-2-yl)-5-methyl-1H-pyrazole (CID 122557475) is 4-(5-ethylsulfonylthiophen-2-yl)-5-methyl-1H-pyrazole.
What is the SMILES notation for 4-(5-ethylsulfonylthiophen-2-yl)-5-methyl-1H-pyrazole?
The canonical SMILES for 4-(5-ethylsulfonylthiophen-2-yl)-5-methyl-1H-pyrazole is CCS(=O)(=O)c1ccc(-c2cn[nH]c2C)s1.
What is the InChIKey of 4-(5-ethylsulfonylthiophen-2-yl)-5-methyl-1H-pyrazole?
The InChIKey is OPZIRCUDHRAICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S2/c1-3-16(13,14)10-5-4-9(15-10)8-6-11-12-7(8)2/h4-6H,3H2,1-2H3,(H,11,12).
What are the key properties of 4-(5-ethylsulfonylthiophen-2-yl)-5-methyl-1H-pyrazole?
4-(5-ethylsulfonylthiophen-2-yl)-5-methyl-1H-pyrazole has a molecular weight of 256.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylsulfonylthiophen-2-yl)-5-methyl-1H-pyrazole is sourced from PubChem (CID 122557475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).