2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-indazol-4-one

C19H22N4O2 — CID 166636287

IUPAC2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2nn(CC(=O)N3CCN(c4ccccc4)CC3)cc21
InChIInChI=1S/C19H22N4O2/c24-18-8-4-7-17-16(18)13-23(20-17)14-19(25)22-11-9-21(10-12-22)15-5-2-1-3-6-15/h1-3,5-6,13H,4,7-12,14H2
InChIKeyKWEFOVWAUUWLMN-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.75
Rot. Bonds3

About 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-indazol-4-one

2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-indazol-4-one (PubChem CID 166636287) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-indazol-4-one
PubChem CID166636287
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2nn(CC(=O)N3CCN(c4ccccc4)CC3)cc21
InChIInChI=1S/C19H22N4O2/c24-18-8-4-7-17-16(18)13-23(20-17)14-19(25)22-11-9-21(10-12-22)15-5-2-1-3-6-15/h1-3,5-6,13H,4,7-12,14H2
InChIKeyKWEFOVWAUUWLMN-UHFFFAOYSA-N
XLogP1.75
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-indazol-4-one (CID 166636287) is 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-indazol-4-one is O=C1CCCc2nn(CC(=O)N3CCN(c4ccccc4)CC3)cc21.
What is the InChIKey of 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-indazol-4-one?
The InChIKey is KWEFOVWAUUWLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18-8-4-7-17-16(18)13-23(20-17)14-19(25)22-11-9-21(10-12-22)15-5-2-1-3-6-15/h1-3,5-6,13H,4,7-12,14H2.
What are the key properties of 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-indazol-4-one?
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-indazol-4-one has a molecular weight of 338.41 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 166636287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).