1-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one

C16H18Cl2N2O2 — CID 90434365

IUPAC1-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
SMILESCC(C)Oc1cc(-c2c(Cl)n3n(c2=O)CCCC3)ccc1Cl
InChIInChI=1S/C16H18Cl2N2O2/c1-10(2)22-13-9-11(5-6-12(13)17)14-15(18)19-7-3-4-8-20(19)16(14)21/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyUFBMHXIYSVTALF-UHFFFAOYSA-N
MW341.24 g/mol
LogP4.20
Rot. Bonds3

About 1-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one

1-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one (PubChem CID 90434365) has the molecular formula C16H18Cl2N2O2 and a molecular weight of 341.24 g/mol. Its IUPAC name is 1-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one.

Molecular Properties

Compound Name1-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
PubChem CID90434365
Molecular FormulaC16H18Cl2N2O2
Molecular Weight341.24 g/mol
Exact Mass340.07
IUPAC Name1-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
SMILESCC(C)Oc1cc(-c2c(Cl)n3n(c2=O)CCCC3)ccc1Cl
InChIInChI=1S/C16H18Cl2N2O2/c1-10(2)22-13-9-11(5-6-12(13)17)14-15(18)19-7-3-4-8-20(19)16(14)21/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyUFBMHXIYSVTALF-UHFFFAOYSA-N
XLogP4.20
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
The IUPAC name of 1-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one (CID 90434365) is 1-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one.
What is the SMILES notation for 1-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
The canonical SMILES for 1-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one is CC(C)Oc1cc(-c2c(Cl)n3n(c2=O)CCCC3)ccc1Cl.
What is the InChIKey of 1-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
The InChIKey is UFBMHXIYSVTALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2/c1-10(2)22-13-9-11(5-6-12(13)17)14-15(18)19-7-3-4-8-20(19)16(14)21/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 1-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
1-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one has a molecular weight of 341.24 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one is sourced from PubChem (CID 90434365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).