4-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrazole

C11H11BrN2O2S — CID 68743668

IUPAC4-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrazole
SMILESCc1ccc(S(=O)(=O)n2cc(Br)c(C)n2)cc1
InChIInChI=1S/C11H11BrN2O2S/c1-8-3-5-10(6-4-8)17(15,16)14-7-11(12)9(2)13-14/h3-7H,1-2H3
InChIKeyHLCHIUAHIRTGBZ-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.50
Rot. Bonds2

About 4-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrazole

4-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrazole (PubChem CID 68743668) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is 4-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name4-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrazole
PubChem CID68743668
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name4-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrazole
SMILESCc1ccc(S(=O)(=O)n2cc(Br)c(C)n2)cc1
InChIInChI=1S/C11H11BrN2O2S/c1-8-3-5-10(6-4-8)17(15,16)14-7-11(12)9(2)13-14/h3-7H,1-2H3
InChIKeyHLCHIUAHIRTGBZ-UHFFFAOYSA-N
XLogP2.50
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(benzenesulfonyl)-4-bromopyrazole-3-carboxylate
CID 23537687
3-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-1,2,4-triazole
CID 170537963
5-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrazolo[4,5-b]pyridine
CID 170960246
1-(4-methylphenyl)sulfonyl-4-phenylpyrazol-3-amine
CID 935379
(2Z,5Z,8Z)-1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonine
CID 12599640
3,8-dibromo-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole
CID 139048804
4-(chloromethyl)-1-(4-methylphenyl)sulfonylpyrazole
CID 121222470
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991
3,6,9-tris-(4-methylphenyl)sulfonyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonane
CID 12599628
2-bromo-4-[1-(4-methylphenyl)sulfonylimidazol-2-yl]phenol
CID 136781757
1,2,3-tris-(4-methylphenyl)sulfonyltriazonane
CID 19101087
4-chloro-3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole
CID 158591459

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrazole?
The IUPAC name of 4-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrazole (CID 68743668) is 4-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrazole.
What is the SMILES notation for 4-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrazole?
The canonical SMILES for 4-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrazole is Cc1ccc(S(=O)(=O)n2cc(Br)c(C)n2)cc1.
What is the InChIKey of 4-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrazole?
The InChIKey is HLCHIUAHIRTGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c1-8-3-5-10(6-4-8)17(15,16)14-7-11(12)9(2)13-14/h3-7H,1-2H3.
What are the key properties of 4-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrazole?
4-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrazole has a molecular weight of 315.19 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrazole is sourced from PubChem (CID 68743668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).