2-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one

C8H4ClF3N4O — CID 18922574

IUPAC2-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one
SMILESO=c1cc(C(F)(F)F)[nH]n1-c1ccc(Cl)nn1
InChIInChI=1S/C8H4ClF3N4O/c9-5-1-2-6(14-13-5)16-7(17)3-4(15-16)8(10,11)12/h1-3,15H
InChIKeyBYLDIAVQWFIKTN-UHFFFAOYSA-N
MW264.59 g/mol
LogP1.63
Rot. Bonds1

About 2-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one

2-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one (PubChem CID 18922574) has the molecular formula C8H4ClF3N4O and a molecular weight of 264.59 g/mol. Its IUPAC name is 2-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one
PubChem CID18922574
Molecular FormulaC8H4ClF3N4O
Molecular Weight264.59 g/mol
Exact Mass264.00
IUPAC Name2-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one
SMILESO=c1cc(C(F)(F)F)[nH]n1-c1ccc(Cl)nn1
InChIInChI=1S/C8H4ClF3N4O/c9-5-1-2-6(14-13-5)16-7(17)3-4(15-16)8(10,11)12/h1-3,15H
InChIKeyBYLDIAVQWFIKTN-UHFFFAOYSA-N
XLogP1.63
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.59
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one?
The IUPAC name of 2-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one (CID 18922574) is 2-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one is O=c1cc(C(F)(F)F)[nH]n1-c1ccc(Cl)nn1.
What is the InChIKey of 2-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one?
The InChIKey is BYLDIAVQWFIKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N4O/c9-5-1-2-6(14-13-5)16-7(17)3-4(15-16)8(10,11)12/h1-3,15H.
What are the key properties of 2-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one?
2-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one has a molecular weight of 264.59 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 18922574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).