5-bromo-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one

C8H4BrF3N4O — CID 162778525

IUPAC5-bromo-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-n2cc(C(F)(F)F)cn2)cc1Br
InChIInChI=1S/C8H4BrF3N4O/c9-5-1-6(14-15-7(5)17)16-3-4(2-13-16)8(10,11)12/h1-3H,(H,15,17)
InChIKeyJIGYTWKJDANFML-UHFFFAOYSA-N
MW309.05 g/mol
LogP1.74
Rot. Bonds1

About 5-bromo-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one

5-bromo-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one (PubChem CID 162778525) has the molecular formula C8H4BrF3N4O and a molecular weight of 309.05 g/mol. Its IUPAC name is 5-bromo-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one
PubChem CID162778525
Molecular FormulaC8H4BrF3N4O
Molecular Weight309.05 g/mol
Exact Mass307.95
IUPAC Name5-bromo-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-n2cc(C(F)(F)F)cn2)cc1Br
InChIInChI=1S/C8H4BrF3N4O/c9-5-1-6(14-15-7(5)17)16-3-4(2-13-16)8(10,11)12/h1-3H,(H,15,17)
InChIKeyJIGYTWKJDANFML-UHFFFAOYSA-N
XLogP1.74
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.05
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazin-6-one
CID 117106762
6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 170964811
5-bromo-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 80868730
5-(bromomethyl)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 107086174
N-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566111
N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80868893
1-(3-chlorophenyl)-4-(trifluoromethyl)pyrazole
CID 84803212
4-bromo-6-(trifluoromethyl)-2H-phthalazin-1-one
CID 162363983
4-(trifluoromethyl)pyrazol-1-amine
CID 66968628
3-(trifluoromethyl)-5-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 82995990
4-(chloromethyl)-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 113378886
N-ethyl-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80868236

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one (CID 162778525) is 5-bromo-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one is O=c1[nH]nc(-n2cc(C(F)(F)F)cn2)cc1Br.
What is the InChIKey of 5-bromo-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one?
The InChIKey is JIGYTWKJDANFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF3N4O/c9-5-1-6(14-15-7(5)17)16-3-4(2-13-16)8(10,11)12/h1-3H,(H,15,17).
What are the key properties of 5-bromo-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one?
5-bromo-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one has a molecular weight of 309.05 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 162778525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).