1-[2-(ethylamino)ethyl]-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide

C13H19N5O2S — CID 106087991

IUPAC1-[2-(ethylamino)ethyl]-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide
SMILESCCNCCn1cc(S(=O)(=O)Nc2cncc(C)c2)cn1
InChIInChI=1S/C13H19N5O2S/c1-3-14-4-5-18-10-13(9-16-18)21(19,20)17-12-6-11(2)7-15-8-12/h6-10,14,17H,3-5H2,1-2H3
InChIKeyRTKRIBVIWBSXBS-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.00
Rot. Bonds7

About 1-[2-(ethylamino)ethyl]-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide

1-[2-(ethylamino)ethyl]-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide (PubChem CID 106087991) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 1-[2-(ethylamino)ethyl]-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[2-(ethylamino)ethyl]-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide
PubChem CID106087991
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name1-[2-(ethylamino)ethyl]-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide
SMILESCCNCCn1cc(S(=O)(=O)Nc2cncc(C)c2)cn1
InChIInChI=1S/C13H19N5O2S/c1-3-14-4-5-18-10-13(9-16-18)21(19,20)17-12-6-11(2)7-15-8-12/h6-10,14,17H,3-5H2,1-2H3
InChIKeyRTKRIBVIWBSXBS-UHFFFAOYSA-N
XLogP1.00
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminoethyl)-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide
CID 106087966
N-(3-bromophenyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
CID 106061520
1-[2-(ethylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 106060932
1-[2-(ethylamino)ethyl]-N-pentylpyrazole-4-sulfonamide
CID 106058154
3-(ethylamino)-N-(5-methyl-3-pyridinyl)propane-1-sulfonamide
CID 106088035
1-[2-(propylamino)ethyl]-N-thiophen-3-ylpyrazole-4-sulfonamide
CID 106069903
N-(1-ethoxypropan-2-yl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
CID 106054208
N-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
CID 106027786
1-[2-(propan-2-ylamino)ethyl]-N-pyridin-3-ylpyrazole-4-sulfonamide
CID 106033533
5-(aminomethyl)-1-ethyl-N-(5-methyl-3-pyridinyl)pyrrole-3-sulfonamide
CID 106087981
1-[3-(ethylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide
CID 106075195
1-[2-(ethylamino)ethyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide
CID 106378170

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)ethyl]-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[2-(ethylamino)ethyl]-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide (CID 106087991) is 1-[2-(ethylamino)ethyl]-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[2-(ethylamino)ethyl]-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[2-(ethylamino)ethyl]-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide is CCNCCn1cc(S(=O)(=O)Nc2cncc(C)c2)cn1.
What is the InChIKey of 1-[2-(ethylamino)ethyl]-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide?
The InChIKey is RTKRIBVIWBSXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-3-14-4-5-18-10-13(9-16-18)21(19,20)17-12-6-11(2)7-15-8-12/h6-10,14,17H,3-5H2,1-2H3.
What are the key properties of 1-[2-(ethylamino)ethyl]-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide?
1-[2-(ethylamino)ethyl]-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide has a molecular weight of 309.40 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)ethyl]-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106087991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).