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

C18H19Cl2FN2O2 — CID 90434438

IUPAC1-chloro-2-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
SMILESO=c1c(-c2cc(OC3CCCC3)c(Cl)cc2F)c(Cl)n2n1CCCC2
InChIInChI=1S/C18H19Cl2FN2O2/c19-13-10-14(21)12(9-15(13)25-11-5-1-2-6-11)16-17(20)22-7-3-4-8-23(22)18(16)24/h9-11H,1-8H2
InChIKeyLVSHEFQPDYBESU-UHFFFAOYSA-N
MW385.27 g/mol
LogP4.88
Rot. Bonds3

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

1-chloro-2-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one (PubChem CID 90434438) has the molecular formula C18H19Cl2FN2O2 and a molecular weight of 385.27 g/mol. Its IUPAC name is 1-chloro-2-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one.

Molecular Properties

Compound Name1-chloro-2-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
PubChem CID90434438
Molecular FormulaC18H19Cl2FN2O2
Molecular Weight385.27 g/mol
Exact Mass384.08
IUPAC Name1-chloro-2-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
SMILESO=c1c(-c2cc(OC3CCCC3)c(Cl)cc2F)c(Cl)n2n1CCCC2
InChIInChI=1S/C18H19Cl2FN2O2/c19-13-10-14(21)12(9-15(13)25-11-5-1-2-6-11)16-17(20)22-7-3-4-8-23(22)18(16)24/h9-11H,1-8H2
InChIKeyLVSHEFQPDYBESU-UHFFFAOYSA-N
XLogP4.88
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 54.88
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-5-cyclopentyloxy-2-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
The IUPAC name of 1-chloro-2-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one (CID 90434438) is 1-chloro-2-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one.
What is the SMILES notation for 1-chloro-2-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
The canonical SMILES for 1-chloro-2-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one is O=c1c(-c2cc(OC3CCCC3)c(Cl)cc2F)c(Cl)n2n1CCCC2.
What is the InChIKey of 1-chloro-2-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
The InChIKey is LVSHEFQPDYBESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2FN2O2/c19-13-10-14(21)12(9-15(13)25-11-5-1-2-6-11)16-17(20)22-7-3-4-8-23(22)18(16)24/h9-11H,1-8H2.
What are the key properties of 1-chloro-2-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
1-chloro-2-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one has a molecular weight of 385.27 g/mol, XLogP of 4.88, 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-5-cyclopentyloxy-2-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one is sourced from PubChem (CID 90434438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).