3-amino-N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-4-sulfonamide

C13H19N5O2S — CID 105358431

IUPAC3-amino-N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccc(N(C)C)cc2)c(N)nn1C
InChIInChI=1S/C13H19N5O2S/c1-9-12(13(14)15-18(9)4)21(19,20)16-10-5-7-11(8-6-10)17(2)3/h5-8,16H,1-4H3,(H2,14,15)
InChIKeyXFPSZNVSSMBMQK-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.18
Rot. Bonds4

About 3-amino-N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-4-sulfonamide

3-amino-N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 105358431) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 3-amino-N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID105358431
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name3-amino-N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccc(N(C)C)cc2)c(N)nn1C
InChIInChI=1S/C13H19N5O2S/c1-9-12(13(14)15-18(9)4)21(19,20)16-10-5-7-11(8-6-10)17(2)3/h5-8,16H,1-4H3,(H2,14,15)
InChIKeyXFPSZNVSSMBMQK-UHFFFAOYSA-N
XLogP1.18
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]benzamide
CID 105358140
3-amino-N-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358010
3-amino-1,5-dimethyl-N-(3,4,5-trifluorophenyl)pyrazole-4-sulfonamide
CID 105358866
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358658
3-amino-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359031
N-[4-(dimethylamino)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22774990
3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105357989
3,5-diamino-N-[4-(dimethylamino)phenyl]-2,4,6-trimethylbenzenesulfonamide;3,5-diamino-2,4,6-trimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 159346284
3-amino-N-[4-(dimethylamino)phenyl]pyridine-2-sulfonamide
CID 103304843
3-amino-N-(3-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358660
N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62061884
3-amino-N-(2-bromo-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358087

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-4-sulfonamide (CID 105358431) is 3-amino-N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)Nc2ccc(N(C)C)cc2)c(N)nn1C.
What is the InChIKey of 3-amino-N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is XFPSZNVSSMBMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-9-12(13(14)15-18(9)4)21(19,20)16-10-5-7-11(8-6-10)17(2)3/h5-8,16H,1-4H3,(H2,14,15).
What are the key properties of 3-amino-N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-4-sulfonamide?
3-amino-N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 309.40 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 105358431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).