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

C14H9F3N4O — CID 139068959

IUPAC3-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n[nH]1
InChIInChI=1S/C14H9F3N4O/c15-14(16,17)11-8-10(9-4-2-1-3-5-9)20-21(11)12-6-7-13(22)19-18-12/h1-8H,(H,19,22)
InChIKeyOXDYGKDPIYRYOS-UHFFFAOYSA-N
MW306.25 g/mol
LogP2.64
Rot. Bonds2

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

3-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one (PubChem CID 139068959) has the molecular formula C14H9F3N4O and a molecular weight of 306.25 g/mol. Its IUPAC name is 3-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one
PubChem CID139068959
Molecular FormulaC14H9F3N4O
Molecular Weight306.25 g/mol
Exact Mass306.07
IUPAC Name3-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n[nH]1
InChIInChI=1S/C14H9F3N4O/c15-14(16,17)11-8-10(9-4-2-1-3-5-9)20-21(11)12-6-7-13(22)19-18-12/h1-8H,(H,19,22)
InChIKeyOXDYGKDPIYRYOS-UHFFFAOYSA-N
XLogP2.64
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-Dimethyl-1h-pyrazol-1-yl)phthalazin-1(2h)-one
CID 406146
(Z)-N-(5-phenyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 118731076
2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one
CID 162644365
1-[3-Phenyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 15322614
2-(3-methyl-5-phenylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162667955
4-methyl-2-(5-methyl-3-phenylpyrazol-1-yl)-1H-pyrimidin-6-one
CID 162673073
2-Benzyl-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 177376945
(E)-1-(3,5-dimethylpyrazol-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 11483249
2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-oxopyridazin-1(6H)-yl]-N-(2-phenylethyl)acetamide
CID 11660333
2-(3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-oxopyridazin-1(6H)-yl)-N-(4-fluoro-3-(trifluoromethyl)phenyl)acetamide
CID 56724618
1-[5-Phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 2735865
6-(3-Pyridin-3-yl-5-trifluoromethyl-pyrazol-1-yl)-2H-pyridazin-3-one
CID 57861500

Frequently Asked Questions

What is the IUPAC name of 3-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one (CID 139068959) is 3-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one is O=c1ccc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n[nH]1.
What is the InChIKey of 3-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one?
The InChIKey is OXDYGKDPIYRYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O/c15-14(16,17)11-8-10(9-4-2-1-3-5-9)20-21(11)12-6-7-13(22)19-18-12/h1-8H,(H,19,22).
What are the key properties of 3-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one?
3-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one has a molecular weight of 306.25 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 139068959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).