4-(3-methylsulfonylphenyl)-1H-pyrazole

C10H10N2O2S — CID 130466753

IUPAC4-(3-methylsulfonylphenyl)-1H-pyrazole
SMILESCS(=O)(=O)c1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C10H10N2O2S/c1-15(13,14)10-4-2-3-8(5-10)9-6-11-12-7-9/h2-7H,1H3,(H,11,12)
InChIKeyDPJWEXOBULILON-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.48
Rot. Bonds2

About 4-(3-methylsulfonylphenyl)-1H-pyrazole

4-(3-methylsulfonylphenyl)-1H-pyrazole (PubChem CID 130466753) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 4-(3-methylsulfonylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(3-methylsulfonylphenyl)-1H-pyrazole
PubChem CID130466753
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name4-(3-methylsulfonylphenyl)-1H-pyrazole
SMILESCS(=O)(=O)c1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C10H10N2O2S/c1-15(13,14)10-4-2-3-8(5-10)9-6-11-12-7-9/h2-7H,1H3,(H,11,12)
InChIKeyDPJWEXOBULILON-UHFFFAOYSA-N
XLogP1.48
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-6-(1H-pyrazol-4-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 46889920
[5-[3-methylsulfonyl-5-(1H-pyrazol-4-yl)phenyl]sulfonylthiophen-2-yl]methanamine;dihydrochloride
CID 130345070
US10807974, Example 127
CID 130345071
2-[(4-phenyl-1H-pyrazol-5-yl)sulfonylmethyl]-4,5-dihydro-1,3-thiazole
CID 56640852
2-[[4-(4-methylphenyl)-1H-pyrazol-5-yl]sulfonylmethyl]-4,5-dihydro-1,3-thiazole
CID 56640977
4-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-1H-pyrazole
CID 15380227
4-phenyl-5-(trifluoromethylsulfonyl)-1H-pyrazole
CID 12890650
5-(difluoromethylsulfanyl)-4-phenyl-1H-pyrazole
CID 178250882
4-(2-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole
CID 19355212
4-(4-fluoro-2-methylphenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole
CID 19355214
4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole
CID 19355688
4-(3-fluoro-4-methylphenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole
CID 19355883

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfonylphenyl)-1H-pyrazole?
The IUPAC name of 4-(3-methylsulfonylphenyl)-1H-pyrazole (CID 130466753) is 4-(3-methylsulfonylphenyl)-1H-pyrazole.
What is the SMILES notation for 4-(3-methylsulfonylphenyl)-1H-pyrazole?
The canonical SMILES for 4-(3-methylsulfonylphenyl)-1H-pyrazole is CS(=O)(=O)c1cccc(-c2cn[nH]c2)c1.
What is the InChIKey of 4-(3-methylsulfonylphenyl)-1H-pyrazole?
The InChIKey is DPJWEXOBULILON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-15(13,14)10-4-2-3-8(5-10)9-6-11-12-7-9/h2-7H,1H3,(H,11,12).
What are the key properties of 4-(3-methylsulfonylphenyl)-1H-pyrazole?
4-(3-methylsulfonylphenyl)-1H-pyrazole has a molecular weight of 222.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfonylphenyl)-1H-pyrazole is sourced from PubChem (CID 130466753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).