3-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazol-4-amine

C12H15N3O2S — CID 82486720

IUPAC3-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazol-4-amine
SMILESCCS(=O)(=O)c1ccc(-c2n[nH]c(C)c2N)cc1
InChIInChI=1S/C12H15N3O2S/c1-3-18(16,17)10-6-4-9(5-7-10)12-11(13)8(2)14-15-12/h4-7H,3,13H2,1-2H3,(H,14,15)
InChIKeyGCDSYFJTKRVFSV-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.76
Rot. Bonds3

About 3-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazol-4-amine

3-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazol-4-amine (PubChem CID 82486720) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 3-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazol-4-amine
PubChem CID82486720
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name3-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazol-4-amine
SMILESCCS(=O)(=O)c1ccc(-c2n[nH]c(C)c2N)cc1
InChIInChI=1S/C12H15N3O2S/c1-3-18(16,17)10-6-4-9(5-7-10)12-11(13)8(2)14-15-12/h4-7H,3,13H2,1-2H3,(H,14,15)
InChIKeyGCDSYFJTKRVFSV-UHFFFAOYSA-N
XLogP1.76
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-amine
CID 42873937
4-bromo-5-(4-ethylsulfonylphenyl)-1H-pyrazol-3-amine
CID 84608772
5-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-4-amine
CID 82479094
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
[3-(4-ethylsulfonylphenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 82487034
3-(4-cyclohexylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82120366
4-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzenesulfonamide
CID 177458625
3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-amine
CID 46167948
3-(4-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82118332
ethyl 5-(4-methylsulfonylphenyl)-2H-triazole-4-carboxylate
CID 169398981
3-(4-methylsulfonylphenyl)-1H-indazole
CID 72895811
4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-amine
CID 82485984

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazol-4-amine?
The IUPAC name of 3-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazol-4-amine (CID 82486720) is 3-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazol-4-amine.
What is the SMILES notation for 3-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazol-4-amine?
The canonical SMILES for 3-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazol-4-amine is CCS(=O)(=O)c1ccc(-c2n[nH]c(C)c2N)cc1.
What is the InChIKey of 3-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazol-4-amine?
The InChIKey is GCDSYFJTKRVFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-3-18(16,17)10-6-4-9(5-7-10)12-11(13)8(2)14-15-12/h4-7H,3,13H2,1-2H3,(H,14,15).
What are the key properties of 3-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazol-4-amine?
3-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazol-4-amine has a molecular weight of 265.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazol-4-amine is sourced from PubChem (CID 82486720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).