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

C17H15F3N6O — CID 16654512

IUPACN-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCCNc1ccc(-n2cccn2)nn1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H15F3N6O/c18-17(19,20)13-5-2-1-4-12(13)16(27)22-10-9-21-14-6-7-15(25-24-14)26-11-3-8-23-26/h1-8,11H,9-10H2,(H,21,24)(H,22,27)
InChIKeyTXQMBNBBEVHENS-UHFFFAOYSA-N
MW376.34 g/mol
LogP2.52
Rot. Bonds6

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

N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 16654512) has the molecular formula C17H15F3N6O and a molecular weight of 376.34 g/mol. Its IUPAC name is N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]-2-(trifluoromethyl)benzamide
PubChem CID16654512
Molecular FormulaC17H15F3N6O
Molecular Weight376.34 g/mol
Exact Mass376.13
IUPAC NameN-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCCNc1ccc(-n2cccn2)nn1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H15F3N6O/c18-17(19,20)13-5-2-1-4-12(13)16(27)22-10-9-21-14-6-7-15(25-24-14)26-11-3-8-23-26/h1-8,11H,9-10H2,(H,21,24)(H,22,27)
InChIKeyTXQMBNBBEVHENS-UHFFFAOYSA-N
XLogP2.52
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 52.52
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

2-chloro-4-fluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 16654523
2-ethyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]butanamide
CID 16654552
3-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 56699820
1-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122292701
2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292649
5-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
CID 122292729
1-(2-ethylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 122292682
2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292745
N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide
CID 108542424
(E)-3-(2-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]prop-2-enamide
CID 122292858
N-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide
CID 62665548
2-[methyl(methylsulfonyl)amino]-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292782

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]-2-(trifluoromethyl)benzamide (CID 16654512) is N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]-2-(trifluoromethyl)benzamide is O=C(NCCNc1ccc(-n2cccn2)nn1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is TXQMBNBBEVHENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O/c18-17(19,20)13-5-2-1-4-12(13)16(27)22-10-9-21-14-6-7-15(25-24-14)26-11-3-8-23-26/h1-8,11H,9-10H2,(H,21,24)(H,22,27).
What are the key properties of N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]-2-(trifluoromethyl)benzamide?
N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 376.34 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 16654512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).