3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazole

C8H14N2O2S — CID 63810790

IUPAC3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazole
SMILESCc1cc(C)n(CCS(C)(=O)=O)n1
InChIInChI=1S/C8H14N2O2S/c1-7-6-8(2)10(9-7)4-5-13(3,11)12/h6H,4-5H2,1-3H3
InChIKeyRPBXVMAUUMACKC-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.54
Rot. Bonds3

About 3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazole

3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazole (PubChem CID 63810790) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazole
PubChem CID63810790
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazole
SMILESCc1cc(C)n(CCS(C)(=O)=O)n1
InChIInChI=1S/C8H14N2O2S/c1-7-6-8(2)10(9-7)4-5-13(3,11)12/h6H,4-5H2,1-3H3
InChIKeyRPBXVMAUUMACKC-UHFFFAOYSA-N
XLogP0.54
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazole with MolForge

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

Launch Full Analysis

Related Compounds

3-(2-fluoropropan-2-yl)-5-methyl-1-(2-methylsulfonylethyl)pyrazole
CID 170239142
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-(2-methylsulfonylethyl)guanidine
CID 111279411
3,5-dimethyl-1-(3-methylbutyl)pyrazole
CID 59748002
1-ethyl-3,5-dimethylpyrazole
CID 565993
1-butyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19332430
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine
CID 122626197
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[2-(methanesulfonamido)ethyl]urea
CID 86993163
5-chloro-3-ethyl-1-(2-methylsulfonylethyl)pyrazole
CID 66015518
1-(6-chlorohexyl)-3,5-dimethylpyrazole
CID 62227990
1-(2-ethoxyethyl)-3,5-dimethylpyrazole
CID 15154386
2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid
CID 43357762
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazole?
The IUPAC name of 3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazole (CID 63810790) is 3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazole?
The canonical SMILES for 3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazole is Cc1cc(C)n(CCS(C)(=O)=O)n1.
What is the InChIKey of 3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazole?
The InChIKey is RPBXVMAUUMACKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-7-6-8(2)10(9-7)4-5-13(3,11)12/h6H,4-5H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazole?
3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazole has a molecular weight of 202.28 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazole is sourced from PubChem (CID 63810790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).