3-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide

C16H15BrN6O — CID 56699820

IUPAC3-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
SMILESO=C(NCCNc1ccc(-n2cccn2)nn1)c1cccc(Br)c1
InChIInChI=1S/C16H15BrN6O/c17-13-4-1-3-12(11-13)16(24)19-9-8-18-14-5-6-15(22-21-14)23-10-2-7-20-23/h1-7,10-11H,8-9H2,(H,18,21)(H,19,24)
InChIKeyXOGISFKJAZPOIU-UHFFFAOYSA-N
MW387.24 g/mol
LogP2.27
Rot. Bonds6

About 3-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide

3-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide (PubChem CID 56699820) has the molecular formula C16H15BrN6O and a molecular weight of 387.24 g/mol. Its IUPAC name is 3-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
PubChem CID56699820
Molecular FormulaC16H15BrN6O
Molecular Weight387.24 g/mol
Exact Mass386.05
IUPAC Name3-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
SMILESO=C(NCCNc1ccc(-n2cccn2)nn1)c1cccc(Br)c1
InChIInChI=1S/C16H15BrN6O/c17-13-4-1-3-12(11-13)16(24)19-9-8-18-14-5-6-15(22-21-14)23-10-2-7-20-23/h1-7,10-11H,8-9H2,(H,18,21)(H,19,24)
InChIKeyXOGISFKJAZPOIU-UHFFFAOYSA-N
XLogP2.27
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 52.27
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

5-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
CID 122292729
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CID 16654552
2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
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3-bromo-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121066486
2-chloro-4-fluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 16654523
N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]-2-(trifluoromethyl)benzamide
CID 16654512
4-bromo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122307616
2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292649
1-(2-ethylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 122292682
3-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292805
3-(3-chlorophenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292804
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-pyrazol-1-ylbenzamide
CID 122326948

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide (CID 56699820) is 3-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide is O=C(NCCNc1ccc(-n2cccn2)nn1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide?
The InChIKey is XOGISFKJAZPOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN6O/c17-13-4-1-3-12(11-13)16(24)19-9-8-18-14-5-6-15(22-21-14)23-10-2-7-20-23/h1-7,10-11H,8-9H2,(H,18,21)(H,19,24).
What are the key properties of 3-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide?
3-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide has a molecular weight of 387.24 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide is sourced from PubChem (CID 56699820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).