3-amino-1-ethyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide

C14H20N4O2S — CID 60808760

IUPAC3-amino-1-ethyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)c(N)n1
InChIInChI=1S/C14H20N4O2S/c1-5-18-8-12(14(15)16-18)21(19,20)17-13-10(3)6-9(2)7-11(13)4/h6-8,17H,5H2,1-4H3,(H2,15,16)
InChIKeyOCKGXTVCICAJPK-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.21
Rot. Bonds4

About 3-amino-1-ethyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide

3-amino-1-ethyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide (PubChem CID 60808760) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide
PubChem CID60808760
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name3-amino-1-ethyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)c(N)n1
InChIInChI=1S/C14H20N4O2S/c1-5-18-8-12(14(15)16-18)21(19,20)17-13-10(3)6-9(2)7-11(13)4/h6-8,17H,5H2,1-4H3,(H2,15,16)
InChIKeyOCKGXTVCICAJPK-UHFFFAOYSA-N
XLogP2.21
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide
CID 22773737
3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-ethylpyrazole-4-sulfonamide
CID 114386852
3-amino-N-(2,6-dibromophenyl)-1-ethylpyrazole-4-sulfonamide
CID 107596320
3-amino-N-(3,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide
CID 60815193
3-amino-1-ethyl-N-(3-hydroxyphenyl)pyrazole-4-sulfonamide
CID 61167291
3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide
CID 60814031
3-amino-N-(2,4-dimethylphenyl)-1-propylpyrazole-4-sulfonamide
CID 60814863
3-amino-1-ethyl-N-(4-ethylphenyl)pyrazole-4-sulfonamide
CID 60815181
3-amino-1-ethyl-N-[(4-methylphenyl)methyl]pyrazole-4-sulfonamide
CID 60813353
3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide
CID 61168847
3-amino-N-(2,4-dimethylphenyl)-1-ethyl-N-methylpyrazole-4-sulfonamide
CID 62002771
3-amino-N-(4-bromo-2,6-dimethylphenyl)-1-methylpyrazole-4-sulfonamide
CID 60808613

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide (CID 60808760) is 3-amino-1-ethyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)c(N)n1.
What is the InChIKey of 3-amino-1-ethyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide?
The InChIKey is OCKGXTVCICAJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-5-18-8-12(14(15)16-18)21(19,20)17-13-10(3)6-9(2)7-11(13)4/h6-8,17H,5H2,1-4H3,(H2,15,16).
What are the key properties of 3-amino-1-ethyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide?
3-amino-1-ethyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 60808760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).