2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one

C20H21FN6O2 — CID 90517442

IUPAC2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
SMILESCC(C(=O)N1CCN(c2ccccc2F)CC1)n1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C20H21FN6O2/c1-15(27-19(28)8-7-18(23-27)26-10-4-9-22-26)20(29)25-13-11-24(12-14-25)17-6-3-2-5-16(17)21/h2-10,15H,11-14H2,1H3
InChIKeyXRXIZCOOCCIQRZ-UHFFFAOYSA-N
MW396.43 g/mol
LogP1.48
Rot. Bonds4

About 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one

2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one (PubChem CID 90517442) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
PubChem CID90517442
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC Name2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
SMILESCC(C(=O)N1CCN(c2ccccc2F)CC1)n1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C20H21FN6O2/c1-15(27-19(28)8-7-18(23-27)26-10-4-9-22-26)20(29)25-13-11-24(12-14-25)17-6-3-2-5-16(17)21/h2-10,15H,11-14H2,1H3
InChIKeyXRXIZCOOCCIQRZ-UHFFFAOYSA-N
XLogP1.48
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-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

Related Compounds

2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyridazin-3-one
CID 121079760
2-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 90517552
2-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 90517656
2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
CID 121076117
2-[1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 90517585
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107023626
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 46043420
N-(3,4-difluorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
CID 90517462
(2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827006
2-[1-[4-(2-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 90517862
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 42936420
(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxy-2-phenylethanone
CID 95577530

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one?
The IUPAC name of 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one (CID 90517442) is 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one?
The canonical SMILES for 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one is CC(C(=O)N1CCN(c2ccccc2F)CC1)n1nc(-n2cccn2)ccc1=O.
What is the InChIKey of 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one?
The InChIKey is XRXIZCOOCCIQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2/c1-15(27-19(28)8-7-18(23-27)26-10-4-9-22-26)20(29)25-13-11-24(12-14-25)17-6-3-2-5-16(17)21/h2-10,15H,11-14H2,1H3.
What are the key properties of 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one?
2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one has a molecular weight of 396.43 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one is sourced from PubChem (CID 90517442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).