3-[2-(2-methylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

C21H15F3N4O — CID 59436228

IUPAC3-[2-(2-methylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
SMILESCc1ccccc1-n1nccc1-c1nn(-c2cccc(C(F)(F)F)c2)ccc1=O
InChIInChI=1S/C21H15F3N4O/c1-14-5-2-3-8-17(14)28-18(9-11-25-28)20-19(29)10-12-27(26-20)16-7-4-6-15(13-16)21(22,23)24/h2-13H,1H3
InChIKeyNPNMYQZUDQFCLP-UHFFFAOYSA-N
MW396.37 g/mol
LogP4.41
Rot. Bonds3

About 3-[2-(2-methylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

3-[2-(2-methylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one (PubChem CID 59436228) has the molecular formula C21H15F3N4O and a molecular weight of 396.37 g/mol. Its IUPAC name is 3-[2-(2-methylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one.

Molecular Properties

Compound Name3-[2-(2-methylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
PubChem CID59436228
Molecular FormulaC21H15F3N4O
Molecular Weight396.37 g/mol
Exact Mass396.12
IUPAC Name3-[2-(2-methylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
SMILESCc1ccccc1-n1nccc1-c1nn(-c2cccc(C(F)(F)F)c2)ccc1=O
InChIInChI=1S/C21H15F3N4O/c1-14-5-2-3-8-17(14)28-18(9-11-25-28)20-19(29)10-12-27(26-20)16-7-4-6-15(13-16)21(22,23)24/h2-13H,1H3
InChIKeyNPNMYQZUDQFCLP-UHFFFAOYSA-N
XLogP4.41
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(3-methylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 66710696
3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 46219819
1-(2-methylphenyl)-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
CID 58072229
3-(2-benzylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 58072397
3-(1-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 1479691
3-[1-(2-fluorophenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 1479697
1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
CID 58072352
3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyridazin-4-one
CID 59453403
3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-(2-methyl-4-pyridinyl)pyridazin-4-one
CID 59453401
1-(3-bromophenyl)-3-(2-naphthalen-1-ylpyrazol-3-yl)pyridazin-4-one
CID 59370097
3-(2-pyridin-2-ylpyrazol-3-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one
CID 46218711
3-[3-(2-naphthalen-1-ylpyrazol-3-yl)-4-oxopyridazin-1-yl]benzoic acid
CID 91035591

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The IUPAC name of 3-[2-(2-methylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one (CID 59436228) is 3-[2-(2-methylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one.
What is the SMILES notation for 3-[2-(2-methylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The canonical SMILES for 3-[2-(2-methylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one is Cc1ccccc1-n1nccc1-c1nn(-c2cccc(C(F)(F)F)c2)ccc1=O.
What is the InChIKey of 3-[2-(2-methylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The InChIKey is NPNMYQZUDQFCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O/c1-14-5-2-3-8-17(14)28-18(9-11-25-28)20-19(29)10-12-27(26-20)16-7-4-6-15(13-16)21(22,23)24/h2-13H,1H3.
What are the key properties of 3-[2-(2-methylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
3-[2-(2-methylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one has a molecular weight of 396.37 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one is sourced from PubChem (CID 59436228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).