1-phenyl-2-(3-piperazin-1-ylpropyl)indazol-3-one

C20H24N4O — CID 13122080

IUPAC1-phenyl-2-(3-piperazin-1-ylpropyl)indazol-3-one
SMILESO=c1c2ccccc2n(-c2ccccc2)n1CCCN1CCNCC1
InChIInChI=1S/C20H24N4O/c25-20-18-9-4-5-10-19(18)24(17-7-2-1-3-8-17)23(20)14-6-13-22-15-11-21-12-16-22/h1-5,7-10,21H,6,11-16H2
InChIKeyXPJBNAFNWFEBIC-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.09
Rot. Bonds5

About 1-phenyl-2-(3-piperazin-1-ylpropyl)indazol-3-one

1-phenyl-2-(3-piperazin-1-ylpropyl)indazol-3-one (PubChem CID 13122080) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-phenyl-2-(3-piperazin-1-ylpropyl)indazol-3-one.

Molecular Properties

Compound Name1-phenyl-2-(3-piperazin-1-ylpropyl)indazol-3-one
PubChem CID13122080
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-phenyl-2-(3-piperazin-1-ylpropyl)indazol-3-one
SMILESO=c1c2ccccc2n(-c2ccccc2)n1CCCN1CCNCC1
InChIInChI=1S/C20H24N4O/c25-20-18-9-4-5-10-19(18)24(17-7-2-1-3-8-17)23(20)14-6-13-22-15-11-21-12-16-22/h1-5,7-10,21H,6,11-16H2
InChIKeyXPJBNAFNWFEBIC-UHFFFAOYSA-N
XLogP2.09
TPSA42.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(3-piperazin-1-ylpropyl)indazol-3-one?
The IUPAC name of 1-phenyl-2-(3-piperazin-1-ylpropyl)indazol-3-one (CID 13122080) is 1-phenyl-2-(3-piperazin-1-ylpropyl)indazol-3-one.
What is the SMILES notation for 1-phenyl-2-(3-piperazin-1-ylpropyl)indazol-3-one?
The canonical SMILES for 1-phenyl-2-(3-piperazin-1-ylpropyl)indazol-3-one is O=c1c2ccccc2n(-c2ccccc2)n1CCCN1CCNCC1.
What is the InChIKey of 1-phenyl-2-(3-piperazin-1-ylpropyl)indazol-3-one?
The InChIKey is XPJBNAFNWFEBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c25-20-18-9-4-5-10-19(18)24(17-7-2-1-3-8-17)23(20)14-6-13-22-15-11-21-12-16-22/h1-5,7-10,21H,6,11-16H2.
What are the key properties of 1-phenyl-2-(3-piperazin-1-ylpropyl)indazol-3-one?
1-phenyl-2-(3-piperazin-1-ylpropyl)indazol-3-one has a molecular weight of 336.44 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(3-piperazin-1-ylpropyl)indazol-3-one is sourced from PubChem (CID 13122080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).