1-methyl-5-(4-methylphenyl)sulfonylpyrazole

C11H12N2O2S — CID 13334076

IUPAC1-methyl-5-(4-methylphenyl)sulfonylpyrazole
SMILESCc1ccc(S(=O)(=O)c2ccnn2C)cc1
InChIInChI=1S/C11H12N2O2S/c1-9-3-5-10(6-4-9)16(14,15)11-7-8-12-13(11)2/h3-8H,1-2H3
InChIKeyNKLDHTLWOHIBOG-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.56
Rot. Bonds2

About 1-methyl-5-(4-methylphenyl)sulfonylpyrazole

1-methyl-5-(4-methylphenyl)sulfonylpyrazole (PubChem CID 13334076) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-methyl-5-(4-methylphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name1-methyl-5-(4-methylphenyl)sulfonylpyrazole
PubChem CID13334076
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name1-methyl-5-(4-methylphenyl)sulfonylpyrazole
SMILESCc1ccc(S(=O)(=O)c2ccnn2C)cc1
InChIInChI=1S/C11H12N2O2S/c1-9-3-5-10(6-4-9)16(14,15)11-7-8-12-13(11)2/h3-8H,1-2H3
InChIKeyNKLDHTLWOHIBOG-UHFFFAOYSA-N
XLogP1.56
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]phenyl]benzene;1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]benzene;1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]benzene
CID 161103806
N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)pyrazole-3-sulfonamide
CID 104709257
1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene
CID 10972270
1-methyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine
CID 154673895
N-(2-bromo-4-methylphenyl)-2-methyl-N-propan-2-ylpyrazole-3-sulfonamide
CID 155962473
8-(4-methylphenyl)-5-(4-methylphenyl)sulfonylimidazo[1,2-a]pyrazine
CID 175792240
1-(4-bromophenyl)sulfonyl-4-methylbenzene
CID 11426909

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methylphenyl)sulfonylpyrazole?
The IUPAC name of 1-methyl-5-(4-methylphenyl)sulfonylpyrazole (CID 13334076) is 1-methyl-5-(4-methylphenyl)sulfonylpyrazole.
What is the SMILES notation for 1-methyl-5-(4-methylphenyl)sulfonylpyrazole?
The canonical SMILES for 1-methyl-5-(4-methylphenyl)sulfonylpyrazole is Cc1ccc(S(=O)(=O)c2ccnn2C)cc1.
What is the InChIKey of 1-methyl-5-(4-methylphenyl)sulfonylpyrazole?
The InChIKey is NKLDHTLWOHIBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-9-3-5-10(6-4-9)16(14,15)11-7-8-12-13(11)2/h3-8H,1-2H3.
What are the key properties of 1-methyl-5-(4-methylphenyl)sulfonylpyrazole?
1-methyl-5-(4-methylphenyl)sulfonylpyrazole has a molecular weight of 236.30 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methylphenyl)sulfonylpyrazole is sourced from PubChem (CID 13334076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).