6-(5-methyl-3-phenylpyrazol-1-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one

C26H26N6O2 — CID 11293981

IUPAC6-(5-methyl-3-phenylpyrazol-1-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
SMILESCc1cc(-c2ccccc2)nn1-c1ccc(=O)n(CC(=O)N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C26H26N6O2/c1-20-18-23(21-8-4-2-5-9-21)27-32(20)24-12-13-25(33)31(28-24)19-26(34)30-16-14-29(15-17-30)22-10-6-3-7-11-22/h2-13,18H,14-17,19H2,1H3
InChIKeyCSDURJUKIIZTKP-UHFFFAOYSA-N
MW454.53 g/mol
LogP2.75
Rot. Bonds5

About 6-(5-methyl-3-phenylpyrazol-1-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one

6-(5-methyl-3-phenylpyrazol-1-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one (PubChem CID 11293981) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 6-(5-methyl-3-phenylpyrazol-1-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(5-methyl-3-phenylpyrazol-1-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
PubChem CID11293981
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name6-(5-methyl-3-phenylpyrazol-1-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
SMILESCc1cc(-c2ccccc2)nn1-c1ccc(=O)n(CC(=O)N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C26H26N6O2/c1-20-18-23(21-8-4-2-5-9-21)27-32(20)24-12-13-25(33)31(28-24)19-26(34)30-16-14-29(15-17-30)22-10-6-3-7-11-22/h2-13,18H,14-17,19H2,1H3
InChIKeyCSDURJUKIIZTKP-UHFFFAOYSA-N
XLogP2.75
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(5-methyl-3-phenylpyrazol-1-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one with MolForge

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Related Compounds

2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 90517215
6-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 16811039
6-cyclopropyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122278600
6-(2-fluoro-4-methoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 51043193
6-(furan-2-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 7658856
2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 7659647
2-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one
CID 121052540
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 121050134
6-methyl-2-[2-oxo-2-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]ethyl]pyridazin-3-one
CID 92634038
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 7659649
6-(4-fluorophenyl)-2-[2-oxo-2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 90516792
N-ethyl-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
CID 53023501

Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-3-phenylpyrazol-1-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one?
The IUPAC name of 6-(5-methyl-3-phenylpyrazol-1-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one (CID 11293981) is 6-(5-methyl-3-phenylpyrazol-1-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-(5-methyl-3-phenylpyrazol-1-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 6-(5-methyl-3-phenylpyrazol-1-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one is Cc1cc(-c2ccccc2)nn1-c1ccc(=O)n(CC(=O)N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of 6-(5-methyl-3-phenylpyrazol-1-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one?
The InChIKey is CSDURJUKIIZTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-20-18-23(21-8-4-2-5-9-21)27-32(20)24-12-13-25(33)31(28-24)19-26(34)30-16-14-29(15-17-30)22-10-6-3-7-11-22/h2-13,18H,14-17,19H2,1H3.
What are the key properties of 6-(5-methyl-3-phenylpyrazol-1-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one?
6-(5-methyl-3-phenylpyrazol-1-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one has a molecular weight of 454.53 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-3-phenylpyrazol-1-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 11293981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).