3-chloro-5-(2-ethyl-6-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one

C13H10ClFN4O — CID 163360966

IUPAC3-chloro-5-(2-ethyl-6-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCCc1cccc(F)c1-n1nc2c(Cl)n[nH]c2cc1=O
InChIInChI=1S/C13H10ClFN4O/c1-2-7-4-3-5-8(15)12(7)19-10(20)6-9-11(18-19)13(14)17-16-9/h3-6,16H,2H2,1H3
InChIKeyBAXPIRJLALZGCO-UHFFFAOYSA-N
MW292.70 g/mol
LogP2.46
Rot. Bonds2

About 3-chloro-5-(2-ethyl-6-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one

3-chloro-5-(2-ethyl-6-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 163360966) has the molecular formula C13H10ClFN4O and a molecular weight of 292.70 g/mol. Its IUPAC name is 3-chloro-5-(2-ethyl-6-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Name3-chloro-5-(2-ethyl-6-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
PubChem CID163360966
Molecular FormulaC13H10ClFN4O
Molecular Weight292.70 g/mol
Exact Mass292.05
IUPAC Name3-chloro-5-(2-ethyl-6-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCCc1cccc(F)c1-n1nc2c(Cl)n[nH]c2cc1=O
InChIInChI=1S/C13H10ClFN4O/c1-2-7-4-3-5-8(15)12(7)19-10(20)6-9-11(18-19)13(14)17-16-9/h3-6,16H,2H2,1H3
InChIKeyBAXPIRJLALZGCO-UHFFFAOYSA-N
XLogP2.46
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.70
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-[3-(trifluoromethyl)phenyl]-1,5-dihydro-6H-pyrazolo[4,3-c]pyridazin-6-one
CID 6412478
(4Z)-2-(4-fluorophenyl)-5-methyl-4-[[5-methyl-2-(2-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]pyrazol-3-one
CID 1222386
2-(4-fluorophenyl)-5-methyl-4-[[5-methyl-2-(2-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]pyrazol-3-one
CID 3382705
6-[3-(4-Fluorophenyl)-5-oxo-1,2-dihydropyrazol-4-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 136350375
4-Methyl-6-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl chloride
CID 141494667
3-bromo-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 163289155
4-Chloro-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carbonitrile
CID 163289174
3-amino-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 163289179
5-(2-Ethyl-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione
CID 163360971
3-chloro-5-(2-fluoro-6-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 163360975
5-(2-Fluoro-6-methylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione
CID 163360991
3-chloro-5-(2-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 163360999

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-ethyl-6-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The IUPAC name of 3-chloro-5-(2-ethyl-6-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one (CID 163360966) is 3-chloro-5-(2-ethyl-6-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one.
What is the SMILES notation for 3-chloro-5-(2-ethyl-6-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The canonical SMILES for 3-chloro-5-(2-ethyl-6-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one is CCc1cccc(F)c1-n1nc2c(Cl)n[nH]c2cc1=O.
What is the InChIKey of 3-chloro-5-(2-ethyl-6-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The InChIKey is BAXPIRJLALZGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4O/c1-2-7-4-3-5-8(15)12(7)19-10(20)6-9-11(18-19)13(14)17-16-9/h3-6,16H,2H2,1H3.
What are the key properties of 3-chloro-5-(2-ethyl-6-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
3-chloro-5-(2-ethyl-6-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 292.70 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-ethyl-6-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 163360966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).