1-(1H-pyrazol-5-yl)acridine

C16H11N3 — CID 141081255

IUPAC1-(1H-pyrazol-5-yl)acridine
SMILESc1ccc2nc3cccc(-c4ccn[nH]4)c3cc2c1
InChIInChI=1S/C16H11N3/c1-2-6-14-11(4-1)10-13-12(16-8-9-17-19-16)5-3-7-15(13)18-14/h1-10H,(H,17,19)
InChIKeyOTAFJBZZMJSCGY-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.78
Rot. Bonds1

About 1-(1H-pyrazol-5-yl)acridine

1-(1H-pyrazol-5-yl)acridine (PubChem CID 141081255) has the molecular formula C16H11N3 and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-yl)acridine.

Molecular Properties

Compound Name1-(1H-pyrazol-5-yl)acridine
PubChem CID141081255
Molecular FormulaC16H11N3
Molecular Weight245.29 g/mol
Exact Mass245.10
IUPAC Name1-(1H-pyrazol-5-yl)acridine
SMILESc1ccc2nc3cccc(-c4ccn[nH]4)c3cc2c1
InChIInChI=1S/C16H11N3/c1-2-6-14-11(4-1)10-13-12(16-8-9-17-19-16)5-3-7-15(13)18-14/h1-10H,(H,17,19)
InChIKeyOTAFJBZZMJSCGY-UHFFFAOYSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-yl)acridine?
The IUPAC name of 1-(1H-pyrazol-5-yl)acridine (CID 141081255) is 1-(1H-pyrazol-5-yl)acridine.
What is the SMILES notation for 1-(1H-pyrazol-5-yl)acridine?
The canonical SMILES for 1-(1H-pyrazol-5-yl)acridine is c1ccc2nc3cccc(-c4ccn[nH]4)c3cc2c1.
What is the InChIKey of 1-(1H-pyrazol-5-yl)acridine?
The InChIKey is OTAFJBZZMJSCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3/c1-2-6-14-11(4-1)10-13-12(16-8-9-17-19-16)5-3-7-15(13)18-14/h1-10H,(H,17,19).
What are the key properties of 1-(1H-pyrazol-5-yl)acridine?
1-(1H-pyrazol-5-yl)acridine has a molecular weight of 245.29 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-yl)acridine is sourced from PubChem (CID 141081255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).