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

C14H14ClFN2O — CID 118684318

IUPAC1-chloro-2-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
SMILESCc1ccc(-c2c(Cl)n3n(c2=O)CCCC3)c(F)c1
InChIInChI=1S/C14H14ClFN2O/c1-9-4-5-10(11(16)8-9)12-13(15)17-6-2-3-7-18(17)14(12)19/h4-5,8H,2-3,6-7H2,1H3
InChIKeyGXYXAGNXCXLYOS-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.21
Rot. Bonds1

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

1-chloro-2-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one (PubChem CID 118684318) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 1-chloro-2-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one.

Molecular Properties

Compound Name1-chloro-2-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
PubChem CID118684318
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name1-chloro-2-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
SMILESCc1ccc(-c2c(Cl)n3n(c2=O)CCCC3)c(F)c1
InChIInChI=1S/C14H14ClFN2O/c1-9-4-5-10(11(16)8-9)12-13(15)17-6-2-3-7-18(17)14(12)19/h4-5,8H,2-3,6-7H2,1H3
InChIKeyGXYXAGNXCXLYOS-UHFFFAOYSA-N
XLogP3.21
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
The IUPAC name of 1-chloro-2-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one (CID 118684318) is 1-chloro-2-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one.
What is the SMILES notation for 1-chloro-2-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
The canonical SMILES for 1-chloro-2-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one is Cc1ccc(-c2c(Cl)n3n(c2=O)CCCC3)c(F)c1.
What is the InChIKey of 1-chloro-2-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
The InChIKey is GXYXAGNXCXLYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-9-4-5-10(11(16)8-9)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-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
1-chloro-2-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one has a molecular weight of 280.73 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one is sourced from PubChem (CID 118684318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).