2-[4-(4-ethylphenyl)sulfonylphenyl]-5-methylpyrazol-3-amine

C18H19N3O2S — CID 2411008

IUPAC2-[4-(4-ethylphenyl)sulfonylphenyl]-5-methylpyrazol-3-amine
SMILESCCc1ccc(S(=O)(=O)c2ccc(-n3nc(C)cc3N)cc2)cc1
InChIInChI=1S/C18H19N3O2S/c1-3-14-4-8-16(9-5-14)24(22,23)17-10-6-15(7-11-17)21-18(19)12-13(2)20-21/h4-12H,3,19H2,1-2H3
InChIKeyHDBBQYILLQZSFM-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.16
Rot. Bonds4

About 2-[4-(4-ethylphenyl)sulfonylphenyl]-5-methylpyrazol-3-amine

2-[4-(4-ethylphenyl)sulfonylphenyl]-5-methylpyrazol-3-amine (PubChem CID 2411008) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-[4-(4-ethylphenyl)sulfonylphenyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-[4-(4-ethylphenyl)sulfonylphenyl]-5-methylpyrazol-3-amine
PubChem CID2411008
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-[4-(4-ethylphenyl)sulfonylphenyl]-5-methylpyrazol-3-amine
SMILESCCc1ccc(S(=O)(=O)c2ccc(-n3nc(C)cc3N)cc2)cc1
InChIInChI=1S/C18H19N3O2S/c1-3-14-4-8-16(9-5-14)24(22,23)17-10-6-15(7-11-17)21-18(19)12-13(2)20-21/h4-12H,3,19H2,1-2H3
InChIKeyHDBBQYILLQZSFM-UHFFFAOYSA-N
XLogP3.16
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-ethylphenyl)sulfonylphenyl]-5-methylpyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-tert-butyl-1-(4-ethylphenyl)pyrazol-5-amine;hydrochloride
CID 68538663
5-amino-1-(4-ethylphenyl)pyrazole-3-carboxylic acid
CID 82115800
4-(5-amino-3-methylpyrazol-1-yl)phenol
CID 21432541
5-methyl-2-(3-methylsulfonylphenyl)pyrazol-3-amine
CID 21455575
N-[4-(5-amino-3-methylpyrazol-1-yl)phenyl]propane-2-sulfonamide
CID 60864387
1-(benzenesulfonyl)-4-ethylbenzene
CID 578693
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide
CID 99165832
[4-(5-amino-3-tert-butylpyrazol-1-yl)phenyl]methanesulfinate
CID 174608664
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propane-1-sulfonamide
CID 47071864
ethyl 4-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]sulfamoyl]benzoate
CID 138994554
5-amino-1-(4-ethylphenyl)-1,2,4-triazole-3-carboxylic acid
CID 116817597
1-ethyl-4-methylsulfonylbenzene
CID 143759723

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylphenyl)sulfonylphenyl]-5-methylpyrazol-3-amine?
The IUPAC name of 2-[4-(4-ethylphenyl)sulfonylphenyl]-5-methylpyrazol-3-amine (CID 2411008) is 2-[4-(4-ethylphenyl)sulfonylphenyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-[4-(4-ethylphenyl)sulfonylphenyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 2-[4-(4-ethylphenyl)sulfonylphenyl]-5-methylpyrazol-3-amine is CCc1ccc(S(=O)(=O)c2ccc(-n3nc(C)cc3N)cc2)cc1.
What is the InChIKey of 2-[4-(4-ethylphenyl)sulfonylphenyl]-5-methylpyrazol-3-amine?
The InChIKey is HDBBQYILLQZSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-3-14-4-8-16(9-5-14)24(22,23)17-10-6-15(7-11-17)21-18(19)12-13(2)20-21/h4-12H,3,19H2,1-2H3.
What are the key properties of 2-[4-(4-ethylphenyl)sulfonylphenyl]-5-methylpyrazol-3-amine?
2-[4-(4-ethylphenyl)sulfonylphenyl]-5-methylpyrazol-3-amine has a molecular weight of 341.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylphenyl)sulfonylphenyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 2411008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).