3,5-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1H-pyrazole-4-sulfonamide

C15H19N7O2S — CID 122307562

IUPAC3,5-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCNc1ccc(-n2cccc2)nn1
InChIInChI=1S/C15H19N7O2S/c1-11-15(12(2)19-18-11)25(23,24)17-8-7-16-13-5-6-14(21-20-13)22-9-3-4-10-22/h3-6,9-10,17H,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyMVEOSBOBDNWGQJ-UHFFFAOYSA-N
MW361.43 g/mol
LogP1.00
Rot. Bonds7

About 3,5-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 122307562) has the molecular formula C15H19N7O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID122307562
Molecular FormulaC15H19N7O2S
Molecular Weight361.43 g/mol
Exact Mass361.13
IUPAC Name3,5-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCNc1ccc(-n2cccc2)nn1
InChIInChI=1S/C15H19N7O2S/c1-11-15(12(2)19-18-11)25(23,24)17-8-7-16-13-5-6-14(21-20-13)22-9-3-4-10-22/h3-6,9-10,17H,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyMVEOSBOBDNWGQJ-UHFFFAOYSA-N
XLogP1.00
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 51.00
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

3,5-dimethyl-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1H-pyrazole-4-sulfonamide
CID 122289503
3,5-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1H-pyrazole-4-sulfonamide
CID 122288738
4-phenyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
CID 122307342
N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-sulfonamide
CID 122307338
N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]cyclopropanesulfonamide
CID 122307547
1-(4-fluorophenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]methanesulfonamide
CID 122307552
3,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]-1H-pyrazole-4-sulfonamide
CID 113044152
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 122320936
N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091242
3,5-dimethyl-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 71790899
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 122290270

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1H-pyrazole-4-sulfonamide (CID 122307562) is 3,5-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCCNc1ccc(-n2cccc2)nn1.
What is the InChIKey of 3,5-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is MVEOSBOBDNWGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O2S/c1-11-15(12(2)19-18-11)25(23,24)17-8-7-16-13-5-6-14(21-20-13)22-9-3-4-10-22/h3-6,9-10,17H,7-8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3,5-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 361.43 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 122307562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).