2-pyridazin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-one

C8H5F3N4O — CID 103294205

IUPAC2-pyridazin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-one
SMILESO=c1cc(C(F)(F)F)[nH]n1-c1cccnn1
InChIInChI=1S/C8H5F3N4O/c9-8(10,11)5-4-7(16)15(14-5)6-2-1-3-12-13-6/h1-4,14H
InChIKeyUZFLKJYCVULNJY-UHFFFAOYSA-N
MW230.15 g/mol
LogP0.97
Rot. Bonds1

About 2-pyridazin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-one

2-pyridazin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-one (PubChem CID 103294205) has the molecular formula C8H5F3N4O and a molecular weight of 230.15 g/mol. Its IUPAC name is 2-pyridazin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-pyridazin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-one
PubChem CID103294205
Molecular FormulaC8H5F3N4O
Molecular Weight230.15 g/mol
Exact Mass230.04
IUPAC Name2-pyridazin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-one
SMILESO=c1cc(C(F)(F)F)[nH]n1-c1cccnn1
InChIInChI=1S/C8H5F3N4O/c9-8(10,11)5-4-7(16)15(14-5)6-2-1-3-12-13-6/h1-4,14H
InChIKeyUZFLKJYCVULNJY-UHFFFAOYSA-N
XLogP0.97
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-one?
The IUPAC name of 2-pyridazin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-one (CID 103294205) is 2-pyridazin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-pyridazin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-pyridazin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-one is O=c1cc(C(F)(F)F)[nH]n1-c1cccnn1.
What is the InChIKey of 2-pyridazin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-one?
The InChIKey is UZFLKJYCVULNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4O/c9-8(10,11)5-4-7(16)15(14-5)6-2-1-3-12-13-6/h1-4,14H.
What are the key properties of 2-pyridazin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-one?
2-pyridazin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-one has a molecular weight of 230.15 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 103294205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).