N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-phenylmethanesulfonamide

C17H20N6O2S — CID 16654390

IUPACN-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-phenylmethanesulfonamide
SMILESCc1ccn(-c2ccc(NCCNS(=O)(=O)Cc3ccccc3)nn2)n1
InChIInChI=1S/C17H20N6O2S/c1-14-9-12-23(22-14)17-8-7-16(20-21-17)18-10-11-19-26(24,25)13-15-5-3-2-4-6-15/h2-9,12,19H,10-11,13H2,1H3,(H,18,20)
InChIKeyUELDKYAINGTLMP-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.50
Rot. Bonds8

About N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-phenylmethanesulfonamide

N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-phenylmethanesulfonamide (PubChem CID 16654390) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-phenylmethanesulfonamide
PubChem CID16654390
Molecular FormulaC17H20N6O2S
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC NameN-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-phenylmethanesulfonamide
SMILESCc1ccn(-c2ccc(NCCNS(=O)(=O)Cc3ccccc3)nn2)n1
InChIInChI=1S/C17H20N6O2S/c1-14-9-12-23(22-14)17-8-7-16(20-21-17)18-10-11-19-26(24,25)13-15-5-3-2-4-6-15/h2-9,12,19H,10-11,13H2,1H3,(H,18,20)
InChIKeyUELDKYAINGTLMP-UHFFFAOYSA-N
XLogP1.50
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]methanesulfonamide
CID 122327359
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide
CID 122327087
1,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]imidazole-4-sulfonamide
CID 122327369
4-ethoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122327122
1-(3-methylphenyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 122328463
2,4-diethoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122327407
2,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
CID 70703293
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-phenoxypropanamide
CID 122327091
1-(4-fluorophenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]methanesulfonamide
CID 122307552
N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
CID 71923671
2-methoxy-5-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]benzamide
CID 122327373
3-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122327357

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-phenylmethanesulfonamide (CID 16654390) is N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-phenylmethanesulfonamide is Cc1ccn(-c2ccc(NCCNS(=O)(=O)Cc3ccccc3)nn2)n1.
What is the InChIKey of N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-phenylmethanesulfonamide?
The InChIKey is UELDKYAINGTLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S/c1-14-9-12-23(22-14)17-8-7-16(20-21-17)18-10-11-19-26(24,25)13-15-5-3-2-4-6-15/h2-9,12,19H,10-11,13H2,1H3,(H,18,20).
What are the key properties of N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-phenylmethanesulfonamide?
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-phenylmethanesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 16654390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).