1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione

C22H19N3O2 — CID 146026196

IUPAC1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c1cccc2-c1cnn(C2CCNCC2)c1
InChIInChI=1S/C22H19N3O2/c26-21-17-4-1-2-5-18(17)22(27)20-16(6-3-7-19(20)21)14-12-24-25(13-14)15-8-10-23-11-9-15/h1-7,12-13,15,23H,8-11H2
InChIKeyRUCYSQLKCYBLDW-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.25
Rot. Bonds2

About 1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione

1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione (PubChem CID 146026196) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione.

Molecular Properties

Compound Name1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione
PubChem CID146026196
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c1cccc2-c1cnn(C2CCNCC2)c1
InChIInChI=1S/C22H19N3O2/c26-21-17-4-1-2-5-18(17)22(27)20-16(6-3-7-19(20)21)14-12-24-25(13-14)15-8-10-23-11-9-15/h1-7,12-13,15,23H,8-11H2
InChIKeyRUCYSQLKCYBLDW-UHFFFAOYSA-N
XLogP3.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione?
The IUPAC name of 1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione (CID 146026196) is 1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione.
What is the SMILES notation for 1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione?
The canonical SMILES for 1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione is O=C1c2ccccc2C(=O)c2c1cccc2-c1cnn(C2CCNCC2)c1.
What is the InChIKey of 1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione?
The InChIKey is RUCYSQLKCYBLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c26-21-17-4-1-2-5-18(17)22(27)20-16(6-3-7-19(20)21)14-12-24-25(13-14)15-8-10-23-11-9-15/h1-7,12-13,15,23H,8-11H2.
What are the key properties of 1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione?
1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione has a molecular weight of 357.41 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione is sourced from PubChem (CID 146026196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).