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

C14H14ClFN2O2 — CID 90434406

IUPAC1-chloro-2-(4-fluoro-3-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
SMILESCOc1cc(-c2c(Cl)n3n(c2=O)CCCC3)ccc1F
InChIInChI=1S/C14H14ClFN2O2/c1-20-11-8-9(4-5-10(11)16)12-13(15)17-6-2-3-7-18(17)14(12)19/h4-5,8H,2-3,6-7H2,1H3
InChIKeyKPGUSGQHUQZOLW-UHFFFAOYSA-N
MW296.73 g/mol
LogP2.91
Rot. Bonds2

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

1-chloro-2-(4-fluoro-3-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one (PubChem CID 90434406) has the molecular formula C14H14ClFN2O2 and a molecular weight of 296.73 g/mol. Its IUPAC name is 1-chloro-2-(4-fluoro-3-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one.

Molecular Properties

Compound Name1-chloro-2-(4-fluoro-3-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
PubChem CID90434406
Molecular FormulaC14H14ClFN2O2
Molecular Weight296.73 g/mol
Exact Mass296.07
IUPAC Name1-chloro-2-(4-fluoro-3-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
SMILESCOc1cc(-c2c(Cl)n3n(c2=O)CCCC3)ccc1F
InChIInChI=1S/C14H14ClFN2O2/c1-20-11-8-9(4-5-10(11)16)12-13(15)17-6-2-3-7-18(17)14(12)19/h4-5,8H,2-3,6-7H2,1H3
InChIKeyKPGUSGQHUQZOLW-UHFFFAOYSA-N
XLogP2.91
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 52.91
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-fluoro-3-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
The IUPAC name of 1-chloro-2-(4-fluoro-3-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one (CID 90434406) is 1-chloro-2-(4-fluoro-3-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one.
What is the SMILES notation for 1-chloro-2-(4-fluoro-3-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
The canonical SMILES for 1-chloro-2-(4-fluoro-3-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one is COc1cc(-c2c(Cl)n3n(c2=O)CCCC3)ccc1F.
What is the InChIKey of 1-chloro-2-(4-fluoro-3-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
The InChIKey is KPGUSGQHUQZOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2/c1-20-11-8-9(4-5-10(11)16)12-13(15)17-6-2-3-7-18(17)14(12)19/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 1-chloro-2-(4-fluoro-3-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
1-chloro-2-(4-fluoro-3-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one has a molecular weight of 296.73 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(4-fluoro-3-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one is sourced from PubChem (CID 90434406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).