5-methyl-2-(4-methylphenyl)sulfonylpyrazol-3-amine

C11H13N3O2S — CID 1253444

IUPAC5-methyl-2-(4-methylphenyl)sulfonylpyrazol-3-amine
SMILESCc1ccc(S(=O)(=O)n2nc(C)cc2N)cc1
InChIInChI=1S/C11H13N3O2S/c1-8-3-5-10(6-4-8)17(15,16)14-11(12)7-9(2)13-14/h3-7H,12H2,1-2H3
InChIKeyOZAPGSHYLRMKFD-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.32
Rot. Bonds2

About 5-methyl-2-(4-methylphenyl)sulfonylpyrazol-3-amine

5-methyl-2-(4-methylphenyl)sulfonylpyrazol-3-amine (PubChem CID 1253444) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)sulfonylpyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)sulfonylpyrazol-3-amine
PubChem CID1253444
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name5-methyl-2-(4-methylphenyl)sulfonylpyrazol-3-amine
SMILESCc1ccc(S(=O)(=O)n2nc(C)cc2N)cc1
InChIInChI=1S/C11H13N3O2S/c1-8-3-5-10(6-4-8)17(15,16)14-11(12)7-9(2)13-14/h3-7H,12H2,1-2H3
InChIKeyOZAPGSHYLRMKFD-UHFFFAOYSA-N
XLogP1.32
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-Dimethyl-1-(toluene-4-sulfonyl)-1H-pyrazole
CID 261702
1-(Benzenesulfonyl)-3-(4-chlorophenyl)pyrazol-5-amine
CID 9551531
1-(Benzenesulfonyl)-3-(4-bromophenyl)pyrazol-5-amine
CID 5308599
2-(4-Fluorophenyl)sulfonyl-5-phenyl-3-pyrazolamine
CID 9550503
5-amino-3-methyl-1-tosyl-1H-pyrazole-4-carbonitrile
CID 851001
1-[(4-tert-butylphenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
CID 891839
1-Ethylsulfonyl-3-phenylpyrazol-5-amine
CID 5307362
3-(4-Methylphenyl)-1-propylsulfonylpyrazol-5-amine
CID 9550092
3-Phenyl-1-propylsulfonylpyrazol-5-amine
CID 9551532
1-(4-Bromobenzenesulfonyl)-3-phenyl-1H-pyrazol-5-amine
CID 9551546
1-(3,4-Dimethyl-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 786057
N-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide
CID 3778663

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenyl)sulfonylpyrazol-3-amine?
The IUPAC name of 5-methyl-2-(4-methylphenyl)sulfonylpyrazol-3-amine (CID 1253444) is 5-methyl-2-(4-methylphenyl)sulfonylpyrazol-3-amine.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)sulfonylpyrazol-3-amine?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)sulfonylpyrazol-3-amine is Cc1ccc(S(=O)(=O)n2nc(C)cc2N)cc1.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)sulfonylpyrazol-3-amine?
The InChIKey is OZAPGSHYLRMKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-8-3-5-10(6-4-8)17(15,16)14-11(12)7-9(2)13-14/h3-7H,12H2,1-2H3.
What are the key properties of 5-methyl-2-(4-methylphenyl)sulfonylpyrazol-3-amine?
5-methyl-2-(4-methylphenyl)sulfonylpyrazol-3-amine has a molecular weight of 251.31 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylphenyl)sulfonylpyrazol-3-amine is sourced from PubChem (CID 1253444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).