N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C13H21N7O2S — CID 122320936

IUPACN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCNc1cc(N(C)C)cnn1
InChIInChI=1S/C13H21N7O2S/c1-9-13(10(2)18-17-9)23(21,22)16-6-5-14-12-7-11(20(3)4)8-15-19-12/h7-8,16H,5-6H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyZENQJILXVFCODM-UHFFFAOYSA-N
MW339.43 g/mol
LogP0.27
Rot. Bonds7

About N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 122320936) has the molecular formula C13H21N7O2S and a molecular weight of 339.43 g/mol. Its IUPAC name is N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID122320936
Molecular FormulaC13H21N7O2S
Molecular Weight339.43 g/mol
Exact Mass339.15
IUPAC NameN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCNc1cc(N(C)C)cnn1
InChIInChI=1S/C13H21N7O2S/c1-9-13(10(2)18-17-9)23(21,22)16-6-5-14-12-7-11(20(3)4)8-15-19-12/h7-8,16H,5-6H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyZENQJILXVFCODM-UHFFFAOYSA-N
XLogP0.27
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 50.27
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

N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2,6-difluorobenzenesulfonamide
CID 122320921
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]naphthalene-1-sulfonamide
CID 122320941
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]pyrrolidine-1-sulfonamide
CID 122320980
3,5-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1H-pyrazole-4-sulfonamide
CID 122288738
3,5-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1H-pyrazole-4-sulfonamide
CID 122307562
3,5-dimethyl-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1H-pyrazole-4-sulfonamide
CID 122289503
N-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 65033381
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 122290270
N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091242
3,5-dimethyl-N-[2-(N-methylanilino)ethyl]-1H-pyrazole-4-sulfonamide
CID 43402494
N-[2-(cyclopropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62665350

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 122320936) is N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCCNc1cc(N(C)C)cnn1.
What is the InChIKey of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is ZENQJILXVFCODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O2S/c1-9-13(10(2)18-17-9)23(21,22)16-6-5-14-12-7-11(20(3)4)8-15-19-12/h7-8,16H,5-6H2,1-4H3,(H,14,19)(H,17,18).
What are the key properties of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 339.43 g/mol, XLogP of 0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 122320936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).