3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide

C12H17N5O3S — CID 105358658

IUPAC3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1cc(NS(=O)(=O)c2c(N)nn(C)c2C)ccc1=O
InChIInChI=1S/C12H17N5O3S/c1-4-17-7-9(5-6-10(17)18)15-21(19,20)11-8(2)16(3)14-12(11)13/h5-7,15H,4H2,1-3H3,(H2,13,14)
InChIKeyLGQDPUQYBOJBRL-UHFFFAOYSA-N
MW311.37 g/mol
LogP0.29
Rot. Bonds4

About 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide

3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 105358658) has the molecular formula C12H17N5O3S and a molecular weight of 311.37 g/mol. Its IUPAC name is 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID105358658
Molecular FormulaC12H17N5O3S
Molecular Weight311.37 g/mol
Exact Mass311.11
IUPAC Name3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1cc(NS(=O)(=O)c2c(N)nn(C)c2C)ccc1=O
InChIInChI=1S/C12H17N5O3S/c1-4-17-7-9(5-6-10(17)18)15-21(19,20)11-8(2)16(3)14-12(11)13/h5-7,15H,4H2,1-3H3,(H2,13,14)
InChIKeyLGQDPUQYBOJBRL-UHFFFAOYSA-N
XLogP0.29
TPSA112.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105358431
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-N-(3-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358660
3-amino-1,5-dimethyl-N-(3,4,5-trifluorophenyl)pyrazole-4-sulfonamide
CID 105358866
3-amino-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359031
2,3,5,6-tetramethyl-N-(6-oxo-1-propyl-3-pyridinyl)benzenesulfonamide
CID 51127332
3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105357989
3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 105357896
2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)ethanesulfonamide
CID 107651560
2-[(1-ethyl-6-oxo-3-pyridinyl)sulfamoyl]acetic acid
CID 60932761
N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62061884

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide (CID 105358658) is 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide is CCn1cc(NS(=O)(=O)c2c(N)nn(C)c2C)ccc1=O.
What is the InChIKey of 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is LGQDPUQYBOJBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3S/c1-4-17-7-9(5-6-10(17)18)15-21(19,20)11-8(2)16(3)14-12(11)13/h5-7,15H,4H2,1-3H3,(H2,13,14).
What are the key properties of 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide?
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 311.37 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 105358658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).