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

C8H4ClF3N4O — CID 86001995

IUPAC6-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-4-one
SMILESO=c1cc(Cl)[nH]nc1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H4ClF3N4O/c9-6-3-4(17)7(14-13-6)16-2-1-5(15-16)8(10,11)12/h1-3H,(H,13,17)
InChIKeyZOBMZMLXWHDCGH-UHFFFAOYSA-N
MW264.59 g/mol
LogP1.63
Rot. Bonds1

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

6-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-4-one (PubChem CID 86001995) has the molecular formula C8H4ClF3N4O and a molecular weight of 264.59 g/mol. Its IUPAC name is 6-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-4-one.

Molecular Properties

Compound Name6-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-4-one
PubChem CID86001995
Molecular FormulaC8H4ClF3N4O
Molecular Weight264.59 g/mol
Exact Mass264.00
IUPAC Name6-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-4-one
SMILESO=c1cc(Cl)[nH]nc1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H4ClF3N4O/c9-6-3-4(17)7(14-13-6)16-2-1-5(15-16)8(10,11)12/h1-3H,(H,13,17)
InChIKeyZOBMZMLXWHDCGH-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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Related Compounds

5-bromo-6-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-4-one
CID 86002003
5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrimidin-6-one
CID 136984723
2,5-dichloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 79633439
3,6-dichloro-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,2,4-triazine
CID 81036576
3-bromo-5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 114837465
1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole
CID 54050324
4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one
CID 145437201
1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole
CID 154211349
1-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]phthalazine
CID 62140435
2-chloro-5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 79072534
4-chloro-2-propan-2-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 80951095
6-chloro-3-(4-propan-2-ylsulfonylpyrazol-1-yl)-1H-pyridazin-4-one
CID 86002072

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-4-one?
The IUPAC name of 6-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-4-one (CID 86001995) is 6-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-4-one.
What is the SMILES notation for 6-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-4-one?
The canonical SMILES for 6-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-4-one is O=c1cc(Cl)[nH]nc1-n1ccc(C(F)(F)F)n1.
What is the InChIKey of 6-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-4-one?
The InChIKey is ZOBMZMLXWHDCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N4O/c9-6-3-4(17)7(14-13-6)16-2-1-5(15-16)8(10,11)12/h1-3H,(H,13,17).
What are the key properties of 6-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-4-one?
6-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-4-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 6-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-4-one is sourced from PubChem (CID 86001995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).