2-(3,3-difluorocyclobutyl)-6-(1H-pyrazol-4-yl)pyridazin-3-one

C11H10F2N4O — CID 175957538

IUPAC2-(3,3-difluorocyclobutyl)-6-(1H-pyrazol-4-yl)pyridazin-3-one
SMILESO=c1ccc(-c2cn[nH]c2)nn1C1CC(F)(F)C1
InChIInChI=1S/C11H10F2N4O/c12-11(13)3-8(4-11)17-10(18)2-1-9(16-17)7-5-14-15-6-7/h1-2,5-6,8H,3-4H2,(H,14,15)
InChIKeyASSCCRCUHHJHPV-UHFFFAOYSA-N
MW252.22 g/mol
LogP1.60
Rot. Bonds2

About 2-(3,3-difluorocyclobutyl)-6-(1H-pyrazol-4-yl)pyridazin-3-one

2-(3,3-difluorocyclobutyl)-6-(1H-pyrazol-4-yl)pyridazin-3-one (PubChem CID 175957538) has the molecular formula C11H10F2N4O and a molecular weight of 252.22 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)-6-(1H-pyrazol-4-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)-6-(1H-pyrazol-4-yl)pyridazin-3-one
PubChem CID175957538
Molecular FormulaC11H10F2N4O
Molecular Weight252.22 g/mol
Exact Mass252.08
IUPAC Name2-(3,3-difluorocyclobutyl)-6-(1H-pyrazol-4-yl)pyridazin-3-one
SMILESO=c1ccc(-c2cn[nH]c2)nn1C1CC(F)(F)C1
InChIInChI=1S/C11H10F2N4O/c12-11(13)3-8(4-11)17-10(18)2-1-9(16-17)7-5-14-15-6-7/h1-2,5-6,8H,3-4H2,(H,14,15)
InChIKeyASSCCRCUHHJHPV-UHFFFAOYSA-N
XLogP1.60
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,3-difluorocyclobutyl)-6-(1H-pyrazol-4-yl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclobutyl)-6-(1H-pyrazol-4-yl)pyridazin-3-one?
The IUPAC name of 2-(3,3-difluorocyclobutyl)-6-(1H-pyrazol-4-yl)pyridazin-3-one (CID 175957538) is 2-(3,3-difluorocyclobutyl)-6-(1H-pyrazol-4-yl)pyridazin-3-one.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)-6-(1H-pyrazol-4-yl)pyridazin-3-one?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)-6-(1H-pyrazol-4-yl)pyridazin-3-one is O=c1ccc(-c2cn[nH]c2)nn1C1CC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)-6-(1H-pyrazol-4-yl)pyridazin-3-one?
The InChIKey is ASSCCRCUHHJHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O/c12-11(13)3-8(4-11)17-10(18)2-1-9(16-17)7-5-14-15-6-7/h1-2,5-6,8H,3-4H2,(H,14,15).
What are the key properties of 2-(3,3-difluorocyclobutyl)-6-(1H-pyrazol-4-yl)pyridazin-3-one?
2-(3,3-difluorocyclobutyl)-6-(1H-pyrazol-4-yl)pyridazin-3-one has a molecular weight of 252.22 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)-6-(1H-pyrazol-4-yl)pyridazin-3-one is sourced from PubChem (CID 175957538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).