3-amino-N-(3-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide

C13H18N4O3S — CID 105358660

IUPAC3-amino-N-(3-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCOc1cccc(NS(=O)(=O)c2c(N)nn(C)c2C)c1
InChIInChI=1S/C13H18N4O3S/c1-4-20-11-7-5-6-10(8-11)16-21(18,19)12-9(2)17(3)15-13(12)14/h5-8,16H,4H2,1-3H3,(H2,14,15)
InChIKeyZBWRYCYIWAUKER-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.51
Rot. Bonds5

About 3-amino-N-(3-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide

3-amino-N-(3-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 105358660) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-amino-N-(3-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID105358660
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name3-amino-N-(3-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCOc1cccc(NS(=O)(=O)c2c(N)nn(C)c2C)c1
InChIInChI=1S/C13H18N4O3S/c1-4-20-11-7-5-6-10(8-11)16-21(18,19)12-9(2)17(3)15-13(12)14/h5-8,16H,4H2,1-3H3,(H2,14,15)
InChIKeyZBWRYCYIWAUKER-UHFFFAOYSA-N
XLogP1.51
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 47310519
3-amino-N-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358010
2-(aminomethyl)-N-(3-ethoxyphenyl)-4-methylthiophene-3-sulfonamide
CID 106012185
2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 61126103
5-amino-N-(3-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 61125171
3-amino-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359031
5-bromo-N-(3-ethoxyphenyl)-3-methyltriazole-4-sulfonamide
CID 106467435
2-amino-5-bromo-N-(3-ethoxyphenyl)pyridine-3-sulfonamide
CID 62156694
4-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]benzamide
CID 105358140
1-tert-butyl-3,5-dimethyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrazole-4-sulfonamide
CID 86934823
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358658
3-amino-N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105358431

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(3-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide (CID 105358660) is 3-amino-N-(3-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(3-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(3-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide is CCOc1cccc(NS(=O)(=O)c2c(N)nn(C)c2C)c1.
What is the InChIKey of 3-amino-N-(3-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is ZBWRYCYIWAUKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-4-20-11-7-5-6-10(8-11)16-21(18,19)12-9(2)17(3)15-13(12)14/h5-8,16H,4H2,1-3H3,(H2,14,15).
What are the key properties of 3-amino-N-(3-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide?
3-amino-N-(3-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 105358660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).