5-(2-ethyl-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione

C13H11FN4O2 — CID 163360971

IUPAC5-(2-ethyl-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione
SMILESCCc1cccc(F)c1-n1nc2c(=O)[nH][nH]c2cc1=O
InChIInChI=1S/C13H11FN4O2/c1-2-7-4-3-5-8(14)12(7)18-10(19)6-9-11(17-18)13(20)16-15-9/h3-6,15H,2H2,1H3,(H,16,20)
InChIKeyOLQBGCXTDCRKPY-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.10
Rot. Bonds2

About 5-(2-ethyl-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione

5-(2-ethyl-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione (PubChem CID 163360971) has the molecular formula C13H11FN4O2 and a molecular weight of 274.25 g/mol. Its IUPAC name is 5-(2-ethyl-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione.

Molecular Properties

Compound Name5-(2-ethyl-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione
PubChem CID163360971
Molecular FormulaC13H11FN4O2
Molecular Weight274.25 g/mol
Exact Mass274.09
IUPAC Name5-(2-ethyl-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione
SMILESCCc1cccc(F)c1-n1nc2c(=O)[nH][nH]c2cc1=O
InChIInChI=1S/C13H11FN4O2/c1-2-7-4-3-5-8(14)12(7)18-10(19)6-9-11(17-18)13(20)16-15-9/h3-6,15H,2H2,1H3,(H,16,20)
InChIKeyOLQBGCXTDCRKPY-UHFFFAOYSA-N
XLogP1.10
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-5-[3-(trifluoromethyl)phenyl]-1,5-dihydro-6H-pyrazolo[4,3-c]pyridazin-6-one
CID 1478561
3,4-dimethyl-N-(2-methylphenyl)-6-oxo-1H-pyridazine-5-carboxamide
CID 45883173
(4Z)-2-(4-fluorophenyl)-5-methyl-4-[[5-methyl-2-(2-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]pyrazol-3-one
CID 1222386
4-[(E)-[1-(4-fluorophenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methyl]-5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one
CID 1743523
4-[(Z)-[1-(4-fluorophenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methyl]-5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one
CID 1743524
2-(4-fluorophenyl)-5-methyl-4-[[5-methyl-2-(2-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]pyrazol-3-one
CID 3382705
4-[[1-(4-fluorophenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methyl]-5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one
CID 49826357
6-[3-(4-Fluorophenyl)-5-oxo-1,2-dihydropyrazol-4-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 136350375
3-bromo-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 163289155
3-amino-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 163289179
3-chloro-5-(2-ethyl-6-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 163360966
Methyl 1-(2-ethyl-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate
CID 163360969

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione?
The IUPAC name of 5-(2-ethyl-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione (CID 163360971) is 5-(2-ethyl-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione.
What is the SMILES notation for 5-(2-ethyl-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione?
The canonical SMILES for 5-(2-ethyl-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione is CCc1cccc(F)c1-n1nc2c(=O)[nH][nH]c2cc1=O.
What is the InChIKey of 5-(2-ethyl-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione?
The InChIKey is OLQBGCXTDCRKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O2/c1-2-7-4-3-5-8(14)12(7)18-10(19)6-9-11(17-18)13(20)16-15-9/h3-6,15H,2H2,1H3,(H,16,20).
What are the key properties of 5-(2-ethyl-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione?
5-(2-ethyl-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione has a molecular weight of 274.25 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione is sourced from PubChem (CID 163360971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).