3-(2-pyridin-3-ylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridazin-4-one

C19H12F3N5O2 — CID 59370177

IUPAC3-(2-pyridin-3-ylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridazin-4-one
SMILESO=c1ccn(-c2ccc(OC(F)(F)F)cc2)nc1-c1ccnn1-c1cccnc1
InChIInChI=1S/C19H12F3N5O2/c20-19(21,22)29-15-5-3-13(4-6-15)26-11-8-17(28)18(25-26)16-7-10-24-27(16)14-2-1-9-23-12-14/h1-12H
InChIKeyLKPKTBRGHHKFPY-UHFFFAOYSA-N
MW399.33 g/mol
LogP3.38
Rot. Bonds4

About 3-(2-pyridin-3-ylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridazin-4-one

3-(2-pyridin-3-ylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridazin-4-one (PubChem CID 59370177) has the molecular formula C19H12F3N5O2 and a molecular weight of 399.33 g/mol. Its IUPAC name is 3-(2-pyridin-3-ylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridazin-4-one.

Molecular Properties

Compound Name3-(2-pyridin-3-ylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridazin-4-one
PubChem CID59370177
Molecular FormulaC19H12F3N5O2
Molecular Weight399.33 g/mol
Exact Mass399.09
IUPAC Name3-(2-pyridin-3-ylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridazin-4-one
SMILESO=c1ccn(-c2ccc(OC(F)(F)F)cc2)nc1-c1ccnn1-c1cccnc1
InChIInChI=1S/C19H12F3N5O2/c20-19(21,22)29-15-5-3-13(4-6-15)26-11-8-17(28)18(25-26)16-7-10-24-27(16)14-2-1-9-23-12-14/h1-12H
InChIKeyLKPKTBRGHHKFPY-UHFFFAOYSA-N
XLogP3.38
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-isoquinolin-4-ylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridazin-4-one
CID 59369985
1-[4-(trifluoromethoxy)phenyl]-3-[2-[3-(trifluoromethylsulfonyl)phenyl]pyrazol-3-yl]pyridazin-4-one
CID 59369968
4-[5-[4-oxo-1-[3-(trifluoromethoxy)phenyl]pyridazin-3-yl]pyrazol-1-yl]benzonitrile
CID 59370146
3-(2-pyridin-2-ylpyrazol-3-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one
CID 46218711
3-[2-(3-methylsulfonylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one
CID 59369984
1-pyridin-3-yl-3-(2-pyridin-2-ylpyrazol-3-yl)pyridazin-4-one
CID 46873499
3-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one
CID 59369953
3-[2-(3-fluorophenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one
CID 141272838
3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 46219819
3-[2-(4-methylphenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one
CID 46873186
3-(2-isoquinolin-5-ylpyrazol-3-yl)-1-[4-(trifluoromethylsulfonyl)phenyl]pyridazin-4-one
CID 59369952
3-[2-(1,3-benzodioxol-5-yl)pyrazol-3-yl]-1-phenylpyridazin-4-one
CID 46219190

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-3-ylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridazin-4-one?
The IUPAC name of 3-(2-pyridin-3-ylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridazin-4-one (CID 59370177) is 3-(2-pyridin-3-ylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridazin-4-one.
What is the SMILES notation for 3-(2-pyridin-3-ylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridazin-4-one?
The canonical SMILES for 3-(2-pyridin-3-ylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridazin-4-one is O=c1ccn(-c2ccc(OC(F)(F)F)cc2)nc1-c1ccnn1-c1cccnc1.
What is the InChIKey of 3-(2-pyridin-3-ylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridazin-4-one?
The InChIKey is LKPKTBRGHHKFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5O2/c20-19(21,22)29-15-5-3-13(4-6-15)26-11-8-17(28)18(25-26)16-7-10-24-27(16)14-2-1-9-23-12-14/h1-12H.
What are the key properties of 3-(2-pyridin-3-ylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridazin-4-one?
3-(2-pyridin-3-ylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridazin-4-one has a molecular weight of 399.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-3-ylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridazin-4-one is sourced from PubChem (CID 59370177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).