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

C16H18Cl2FN3O — CID 144704609

IUPAC2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-6-propyl-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
SMILESCCCC1CCn2c(Cl)c(-c3cc(N)c(Cl)cc3F)c(=O)n2C1
InChIInChI=1S/C16H18Cl2FN3O/c1-2-3-9-4-5-21-15(18)14(16(23)22(21)8-9)10-6-13(20)11(17)7-12(10)19/h6-7,9H,2-5,8,20H2,1H3
InChIKeyAHACBMOQDBRFPZ-UHFFFAOYSA-N
MW358.24 g/mol
LogP4.16
Rot. Bonds3

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

2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-6-propyl-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one (PubChem CID 144704609) has the molecular formula C16H18Cl2FN3O and a molecular weight of 358.24 g/mol. Its IUPAC name is 2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-6-propyl-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one.

Molecular Properties

Compound Name2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-6-propyl-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
PubChem CID144704609
Molecular FormulaC16H18Cl2FN3O
Molecular Weight358.24 g/mol
Exact Mass357.08
IUPAC Name2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-6-propyl-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
SMILESCCCC1CCn2c(Cl)c(-c3cc(N)c(Cl)cc3F)c(=O)n2C1
InChIInChI=1S/C16H18Cl2FN3O/c1-2-3-9-4-5-21-15(18)14(16(23)22(21)8-9)10-6-13(20)11(17)7-12(10)19/h6-7,9H,2-5,8,20H2,1H3
InChIKeyAHACBMOQDBRFPZ-UHFFFAOYSA-N
XLogP4.16
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one;N-[2-chloro-5-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-4-fluorophenyl]propane-2-sulfonamide
CID 160967586
2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one;1-chloro-2-[4-chloro-5-(dimethylsulfamoylamino)-2-fluorophenyl]-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazine
CID 158557208
5-chloro-4-fluoro-2-(3-propylpyrrolidin-1-yl)aniline
CID 113416882
(4-amino-3-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 113416770
1-chloro-2-[4-chloro-5-(cyclohexylmethoxy)-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one;1-chloro-2-(4-chloro-2-fluoro-5-hydroxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
CID 159211491
1-chloro-2-[4-chloro-2-fluoro-5-(oxiran-2-ylmethoxy)phenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
CID 90434533
2-[4-amino-2-fluoro-5-(prop-2-ynylamino)phenyl]-1-chloro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one;1-chloro-2-[2-fluoro-4-nitro-5-(prop-2-ynylamino)phenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
CID 158923856
[2-chloro-5-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-4-fluorophenyl] acetate
CID 118684315
2-bromo-5-chloro-3-(4-propylpiperidin-1-yl)sulfonylaniline
CID 62957606
4-bromo-5-fluoro-2-(3-propylpyrrolidin-1-yl)aniline
CID 116736254
1-chloro-2-[4-chloro-2-fluoro-5-(hydroperoxyamino)phenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
CID 90434608
2-chloro-N-[2-chloro-5-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-4-fluorophenyl]ethanesulfonamide
CID 90434778

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-6-propyl-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
The IUPAC name of 2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-6-propyl-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one (CID 144704609) is 2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-6-propyl-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one.
What is the SMILES notation for 2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-6-propyl-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
The canonical SMILES for 2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-6-propyl-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one is CCCC1CCn2c(Cl)c(-c3cc(N)c(Cl)cc3F)c(=O)n2C1.
What is the InChIKey of 2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-6-propyl-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
The InChIKey is AHACBMOQDBRFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2FN3O/c1-2-3-9-4-5-21-15(18)14(16(23)22(21)8-9)10-6-13(20)11(17)7-12(10)19/h6-7,9H,2-5,8,20H2,1H3.
What are the key properties of 2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-6-propyl-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-6-propyl-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one has a molecular weight of 358.24 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-6-propyl-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one is sourced from PubChem (CID 144704609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).