1-[3-(methylamino)propyl]-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-sulfonamide

C11H16N6O3S — CID 106081763

IUPAC1-[3-(methylamino)propyl]-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-sulfonamide
SMILESCNCCCn1cc(S(=O)(=O)Nc2ccc(=O)[nH]n2)cn1
InChIInChI=1S/C11H16N6O3S/c1-12-5-2-6-17-8-9(7-13-17)21(19,20)16-10-3-4-11(18)15-14-10/h3-4,7-8,12H,2,5-6H2,1H3,(H,14,16)(H,15,18)
InChIKeyPQEGGVSBFSERCC-UHFFFAOYSA-N
MW312.36 g/mol
LogP-0.62
Rot. Bonds7

About 1-[3-(methylamino)propyl]-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-sulfonamide

1-[3-(methylamino)propyl]-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-sulfonamide (PubChem CID 106081763) has the molecular formula C11H16N6O3S and a molecular weight of 312.36 g/mol. Its IUPAC name is 1-[3-(methylamino)propyl]-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[3-(methylamino)propyl]-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-sulfonamide
PubChem CID106081763
Molecular FormulaC11H16N6O3S
Molecular Weight312.36 g/mol
Exact Mass312.10
IUPAC Name1-[3-(methylamino)propyl]-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-sulfonamide
SMILESCNCCCn1cc(S(=O)(=O)Nc2ccc(=O)[nH]n2)cn1
InChIInChI=1S/C11H16N6O3S/c1-12-5-2-6-17-8-9(7-13-17)21(19,20)16-10-3-4-11(18)15-14-10/h3-4,7-8,12H,2,5-6H2,1H3,(H,14,16)(H,15,18)
InChIKeyPQEGGVSBFSERCC-UHFFFAOYSA-N
XLogP-0.62
TPSA121.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(methylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 106031715
N-(5-bromo-6-methyl-2-pyridinyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106070412
1-[3-(methylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide
CID 106075263
1-[2-(methylamino)ethyl]-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 106086969
1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide
CID 106058189
1-[3-(methylamino)propyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018228
1-(3-aminopropyl)-N-(5-bromo-2-pyridinyl)pyrazole-4-sulfonamide
CID 106020893
1-[3-(methylamino)propyl]-N-(pyrimidin-4-ylmethyl)pyrazole-4-sulfonamide
CID 106092563
1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide
CID 106077484
5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide
CID 106081746
N-(6-methoxy-3-pyridinyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106059980
4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786577

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)propyl]-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[3-(methylamino)propyl]-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-sulfonamide (CID 106081763) is 1-[3-(methylamino)propyl]-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[3-(methylamino)propyl]-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[3-(methylamino)propyl]-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-sulfonamide is CNCCCn1cc(S(=O)(=O)Nc2ccc(=O)[nH]n2)cn1.
What is the InChIKey of 1-[3-(methylamino)propyl]-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-sulfonamide?
The InChIKey is PQEGGVSBFSERCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O3S/c1-12-5-2-6-17-8-9(7-13-17)21(19,20)16-10-3-4-11(18)15-14-10/h3-4,7-8,12H,2,5-6H2,1H3,(H,14,16)(H,15,18).
What are the key properties of 1-[3-(methylamino)propyl]-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-sulfonamide?
1-[3-(methylamino)propyl]-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-sulfonamide has a molecular weight of 312.36 g/mol, XLogP of -0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)propyl]-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106081763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).