2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one

C14H15FN2O — CID 157373271

IUPAC2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cc1ccnn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C14H15FN2O/c1-10(2)9-11-7-8-16-17(14(11)18)13-5-3-12(15)4-6-13/h3-8,10H,9H2,1-2H3
InChIKeyMRGCQAKHWULBMO-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.57
Rot. Bonds3

About 2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one

2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one (PubChem CID 157373271) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one
PubChem CID157373271
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cc1ccnn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C14H15FN2O/c1-10(2)9-11-7-8-16-17(14(11)18)13-5-3-12(15)4-6-13/h3-8,10H,9H2,1-2H3
InChIKeyMRGCQAKHWULBMO-UHFFFAOYSA-N
XLogP2.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-(2-methylpropyl)pyridin-2-one
CID 158427364
[2-(4-fluorophenyl)pyrazol-3-yl]methanamine
CID 83877731
2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methylpropan-1-amine
CID 105492833
4-amino-2-(4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazol-3-one
CID 113363132
1-(4-fluorophenyl)-5-(2-methylpropyl)pyrazole-3-carbaldehyde
CID 118512828
1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 90189368
1-[3-(4-fluorophenyl)triazol-4-yl]ethanamine
CID 117167368
4-bromo-2-(4-fluorophenyl)-5-methoxypyridazin-3-one
CID 1487494
1-(3-fluoro-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one
CID 157289450
6-cyclopropyl-2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4,6-di(propan-2-yl)pyridazin-3-one;2-(4-fluorophenyl)-6-methyl-4-propan-2-ylpyridazin-3-one;2-(4-fluorophenyl)-4-propan-2-ylpyridazin-3-one
CID 158622225
2-(4-fluorophenyl)-4H-1,2,4-triazol-3-one
CID 135411143
2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propanoic acid
CID 170879426

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one (CID 157373271) is 2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one is CC(C)Cc1ccnn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one?
The InChIKey is MRGCQAKHWULBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-10(2)9-11-7-8-16-17(14(11)18)13-5-3-12(15)4-6-13/h3-8,10H,9H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one?
2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one has a molecular weight of 246.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 157373271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).