4-(5-ethylsulfonylthiophen-2-yl)-1-methylpyrazole

C10H12N2O2S2 — CID 39736171

IUPAC4-(5-ethylsulfonylthiophen-2-yl)-1-methylpyrazole
SMILESCCS(=O)(=O)c1ccc(-c2cnn(C)c2)s1
InChIInChI=1S/C10H12N2O2S2/c1-3-16(13,14)10-5-4-9(15-10)8-6-11-12(2)7-8/h4-7H,3H2,1-2H3
InChIKeyVDNFSVKCXQFRSW-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.94
Rot. Bonds3

About 4-(5-ethylsulfonylthiophen-2-yl)-1-methylpyrazole

4-(5-ethylsulfonylthiophen-2-yl)-1-methylpyrazole (PubChem CID 39736171) has the molecular formula C10H12N2O2S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(5-ethylsulfonylthiophen-2-yl)-1-methylpyrazole.

Molecular Properties

Compound Name4-(5-ethylsulfonylthiophen-2-yl)-1-methylpyrazole
PubChem CID39736171
Molecular FormulaC10H12N2O2S2
Molecular Weight256.35 g/mol
Exact Mass256.03
IUPAC Name4-(5-ethylsulfonylthiophen-2-yl)-1-methylpyrazole
SMILESCCS(=O)(=O)c1ccc(-c2cnn(C)c2)s1
InChIInChI=1S/C10H12N2O2S2/c1-3-16(13,14)10-5-4-9(15-10)8-6-11-12(2)7-8/h4-7H,3H2,1-2H3
InChIKeyVDNFSVKCXQFRSW-UHFFFAOYSA-N
XLogP1.94
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(5-ethylsulfonylthiophen-2-yl)-1-methylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylsulfonylthiophen-2-yl)-1-methylpyrazole?
The IUPAC name of 4-(5-ethylsulfonylthiophen-2-yl)-1-methylpyrazole (CID 39736171) is 4-(5-ethylsulfonylthiophen-2-yl)-1-methylpyrazole.
What is the SMILES notation for 4-(5-ethylsulfonylthiophen-2-yl)-1-methylpyrazole?
The canonical SMILES for 4-(5-ethylsulfonylthiophen-2-yl)-1-methylpyrazole is CCS(=O)(=O)c1ccc(-c2cnn(C)c2)s1.
What is the InChIKey of 4-(5-ethylsulfonylthiophen-2-yl)-1-methylpyrazole?
The InChIKey is VDNFSVKCXQFRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S2/c1-3-16(13,14)10-5-4-9(15-10)8-6-11-12(2)7-8/h4-7H,3H2,1-2H3.
What are the key properties of 4-(5-ethylsulfonylthiophen-2-yl)-1-methylpyrazole?
4-(5-ethylsulfonylthiophen-2-yl)-1-methylpyrazole has a molecular weight of 256.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylsulfonylthiophen-2-yl)-1-methylpyrazole is sourced from PubChem (CID 39736171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).