1-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]ethanone

C15H10F3N3O — CID 11738281

IUPAC1-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]ethanone
SMILESCC(=O)c1c(-c2ccc(C(F)(F)F)cc2)nn2ncccc12
InChIInChI=1S/C15H10F3N3O/c1-9(22)13-12-3-2-8-19-21(12)20-14(13)10-4-6-11(7-5-10)15(16,17)18/h2-8H,1H3
InChIKeyHSWYANFAMFYPCE-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.62
Rot. Bonds2

About 1-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]ethanone

1-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]ethanone (PubChem CID 11738281) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is 1-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]ethanone
PubChem CID11738281
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC Name1-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]ethanone
SMILESCC(=O)c1c(-c2ccc(C(F)(F)F)cc2)nn2ncccc12
InChIInChI=1S/C15H10F3N3O/c1-9(22)13-12-3-2-8-19-21(12)20-14(13)10-4-6-11(7-5-10)15(16,17)18/h2-8H,1H3
InChIKeyHSWYANFAMFYPCE-UHFFFAOYSA-N
XLogP3.62
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]ethanone?
The IUPAC name of 1-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]ethanone (CID 11738281) is 1-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]ethanone.
What is the SMILES notation for 1-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]ethanone?
The canonical SMILES for 1-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]ethanone is CC(=O)c1c(-c2ccc(C(F)(F)F)cc2)nn2ncccc12.
What is the InChIKey of 1-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]ethanone?
The InChIKey is HSWYANFAMFYPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O/c1-9(22)13-12-3-2-8-19-21(12)20-14(13)10-4-6-11(7-5-10)15(16,17)18/h2-8H,1H3.
What are the key properties of 1-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]ethanone?
1-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]ethanone has a molecular weight of 305.26 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]ethanone is sourced from PubChem (CID 11738281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).