2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6-pyrazol-1-ylpyridazin-3-one

C19H20N6O2 — CID 90517215

IUPAC2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6-pyrazol-1-ylpyridazin-3-one
SMILESO=C(Cn1nc(-n2cccn2)ccc1=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H20N6O2/c26-18-8-7-17(24-10-4-9-20-24)21-25(18)15-19(27)23-13-11-22(12-14-23)16-5-2-1-3-6-16/h1-10H,11-15H2
InChIKeyHWPDUJNDJZMMBU-UHFFFAOYSA-N
MW364.41 g/mol
LogP0.78
Rot. Bonds4

About 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6-pyrazol-1-ylpyridazin-3-one

2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6-pyrazol-1-ylpyridazin-3-one (PubChem CID 90517215) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6-pyrazol-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6-pyrazol-1-ylpyridazin-3-one
PubChem CID90517215
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6-pyrazol-1-ylpyridazin-3-one
SMILESO=C(Cn1nc(-n2cccn2)ccc1=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H20N6O2/c26-18-8-7-17(24-10-4-9-20-24)21-25(18)15-19(27)23-13-11-22(12-14-23)16-5-2-1-3-6-16/h1-10H,11-15H2
InChIKeyHWPDUJNDJZMMBU-UHFFFAOYSA-N
XLogP0.78
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(5-methyl-3-phenylpyrazol-1-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 11293981
2-[2-oxo-2-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 122337316
6-(furan-2-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 7658856
6-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 16811039
2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one
CID 52901373
6-methyl-2-[2-oxo-2-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]ethyl]pyridazin-3-one
CID 92634038
N-ethyl-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
CID 53023501
2-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 90517656
2-(2-oxo-2-thiomorpholin-4-ylethyl)-6-thiomorpholin-4-ylpyridazin-3-one
CID 53371030
6-(2-fluoro-4-methoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 51043193
2-[2-[4-(1,3-benzothiazole-2-carbonyl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916069
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one
CID 52900090

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6-pyrazol-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6-pyrazol-1-ylpyridazin-3-one (CID 90517215) is 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6-pyrazol-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6-pyrazol-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6-pyrazol-1-ylpyridazin-3-one is O=C(Cn1nc(-n2cccn2)ccc1=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6-pyrazol-1-ylpyridazin-3-one?
The InChIKey is HWPDUJNDJZMMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c26-18-8-7-17(24-10-4-9-20-24)21-25(18)15-19(27)23-13-11-22(12-14-23)16-5-2-1-3-6-16/h1-10H,11-15H2.
What are the key properties of 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6-pyrazol-1-ylpyridazin-3-one?
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6-pyrazol-1-ylpyridazin-3-one has a molecular weight of 364.41 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6-pyrazol-1-ylpyridazin-3-one is sourced from PubChem (CID 90517215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).