2-(2,4-dichlorophenyl)-1-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one

C14H11Cl2F3N2O — CID 90434435

IUPAC2-(2,4-dichlorophenyl)-1-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
SMILESO=c1c(-c2ccc(Cl)cc2Cl)c(C(F)(F)F)n2n1CCCC2
InChIInChI=1S/C14H11Cl2F3N2O/c15-8-3-4-9(10(16)7-8)11-12(14(17,18)19)20-5-1-2-6-21(20)13(11)22/h3-4,7H,1-2,5-6H2
InChIKeyVZNVFXRSQHYQHW-UHFFFAOYSA-N
MW351.16 g/mol
LogP4.44
Rot. Bonds1

About 2-(2,4-dichlorophenyl)-1-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one

2-(2,4-dichlorophenyl)-1-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one (PubChem CID 90434435) has the molecular formula C14H11Cl2F3N2O and a molecular weight of 351.16 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
PubChem CID90434435
Molecular FormulaC14H11Cl2F3N2O
Molecular Weight351.16 g/mol
Exact Mass350.02
IUPAC Name2-(2,4-dichlorophenyl)-1-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
SMILESO=c1c(-c2ccc(Cl)cc2Cl)c(C(F)(F)F)n2n1CCCC2
InChIInChI=1S/C14H11Cl2F3N2O/c15-8-3-4-9(10(16)7-8)11-12(14(17,18)19)20-5-1-2-6-21(20)13(11)22/h3-4,7H,1-2,5-6H2
InChIKeyVZNVFXRSQHYQHW-UHFFFAOYSA-N
XLogP4.44
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one (CID 90434435) is 2-(2,4-dichlorophenyl)-1-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one is O=c1c(-c2ccc(Cl)cc2Cl)c(C(F)(F)F)n2n1CCCC2.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
The InChIKey is VZNVFXRSQHYQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F3N2O/c15-8-3-4-9(10(16)7-8)11-12(14(17,18)19)20-5-1-2-6-21(20)13(11)22/h3-4,7H,1-2,5-6H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
2-(2,4-dichlorophenyl)-1-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one has a molecular weight of 351.16 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one is sourced from PubChem (CID 90434435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).