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

C17H14F3N5O2 — CID 56765795

IUPACN-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCCn1nc(-n2cccn2)ccc1=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H14F3N5O2/c18-17(19,20)13-5-2-1-4-12(13)16(27)21-9-11-25-15(26)7-6-14(23-25)24-10-3-8-22-24/h1-8,10H,9,11H2,(H,21,27)
InChIKeyACGKTEONENNAKH-UHFFFAOYSA-N
MW377.33 g/mol
LogP1.88
Rot. Bonds5

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

N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 56765795) has the molecular formula C17H14F3N5O2 and a molecular weight of 377.33 g/mol. Its IUPAC name is N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide
PubChem CID56765795
Molecular FormulaC17H14F3N5O2
Molecular Weight377.33 g/mol
Exact Mass377.11
IUPAC NameN-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCCn1nc(-n2cccn2)ccc1=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H14F3N5O2/c18-17(19,20)13-5-2-1-4-12(13)16(27)21-9-11-25-15(26)7-6-14(23-25)24-10-3-8-22-24/h1-8,10H,9,11H2,(H,21,27)
InChIKeyACGKTEONENNAKH-UHFFFAOYSA-N
XLogP1.88
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide (CID 56765795) is N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide is O=C(NCCn1nc(-n2cccn2)ccc1=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is ACGKTEONENNAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2/c18-17(19,20)13-5-2-1-4-12(13)16(27)21-9-11-25-15(26)7-6-14(23-25)24-10-3-8-22-24/h1-8,10H,9,11H2,(H,21,27).
What are the key properties of N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide?
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 377.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 56765795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).