3-phenyl-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one

C20H20N6O — CID 71962170

IUPAC3-phenyl-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)N1CCN(c2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C20H20N6O/c27-20(10-7-17-5-2-1-3-6-17)25-15-13-24(14-16-25)18-8-9-19(23-22-18)26-12-4-11-21-26/h1-12H,13-16H2
InChIKeyCNEAKCLKNFDVAJ-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.02
Rot. Bonds4

About 3-phenyl-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one

3-phenyl-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 71962170) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-phenyl-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name3-phenyl-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one
PubChem CID71962170
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name3-phenyl-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)N1CCN(c2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C20H20N6O/c27-20(10-7-17-5-2-1-3-6-17)25-15-13-24(14-16-25)18-8-9-19(23-22-18)26-12-4-11-21-26/h1-12H,13-16H2
InChIKeyCNEAKCLKNFDVAJ-UHFFFAOYSA-N
XLogP2.02
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 71961267
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 171148555
3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 146079974
(E)-3-phenyl-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one
CID 9048300
(E)-1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 121059985
(E)-3-phenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]prop-2-en-1-one
CID 90508586
(E)-3-(4-chlorophenyl)-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]prop-2-en-1-one
CID 122336477
3-(4-fluorophenyl)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one
CID 71961516
2-(2-methylphenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122338976
(E)-3-(4-fluorophenyl)-1-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]prop-2-en-1-one
CID 75462658
N-methyl-N-[2-oxo-2-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]methanesulfonamide
CID 122339018
2-methyl-6-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyridazin-3-one
CID 122338958

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of 3-phenyl-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one (CID 71962170) is 3-phenyl-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 3-phenyl-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for 3-phenyl-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one is O=C(C=Cc1ccccc1)N1CCN(c2ccc(-n3cccn3)nn2)CC1.
What is the InChIKey of 3-phenyl-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one?
The InChIKey is CNEAKCLKNFDVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c27-20(10-7-17-5-2-1-3-6-17)25-15-13-24(14-16-25)18-8-9-19(23-22-18)26-12-4-11-21-26/h1-12H,13-16H2.
What are the key properties of 3-phenyl-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one?
3-phenyl-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 360.42 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 71962170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).