5-anthracen-9-yl-1H-pyrazole

C17H12N2 — CID 21252622

IUPAC5-anthracen-9-yl-1H-pyrazole
SMILESc1ccc2c(-c3ccn[nH]3)c3ccccc3cc2c1
InChIInChI=1S/C17H12N2/c1-3-7-14-12(5-1)11-13-6-2-4-8-15(13)17(14)16-9-10-18-19-16/h1-11H,(H,18,19)
InChIKeyNZVMCTOTCUZCSM-UHFFFAOYSA-N
MW244.30 g/mol
LogP4.38
Rot. Bonds1

About 5-anthracen-9-yl-1H-pyrazole

5-anthracen-9-yl-1H-pyrazole (PubChem CID 21252622) has the molecular formula C17H12N2 and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-anthracen-9-yl-1H-pyrazole.

Molecular Properties

Compound Name5-anthracen-9-yl-1H-pyrazole
PubChem CID21252622
Molecular FormulaC17H12N2
Molecular Weight244.30 g/mol
Exact Mass244.10
IUPAC Name5-anthracen-9-yl-1H-pyrazole
SMILESc1ccc2c(-c3ccn[nH]3)c3ccccc3cc2c1
InChIInChI=1S/C17H12N2/c1-3-7-14-12(5-1)11-13-6-2-4-8-15(13)17(14)16-9-10-18-19-16/h1-11H,(H,18,19)
InChIKeyNZVMCTOTCUZCSM-UHFFFAOYSA-N
XLogP4.38
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-anthracen-9-yl-1H-pyrazole?
The IUPAC name of 5-anthracen-9-yl-1H-pyrazole (CID 21252622) is 5-anthracen-9-yl-1H-pyrazole.
What is the SMILES notation for 5-anthracen-9-yl-1H-pyrazole?
The canonical SMILES for 5-anthracen-9-yl-1H-pyrazole is c1ccc2c(-c3ccn[nH]3)c3ccccc3cc2c1.
What is the InChIKey of 5-anthracen-9-yl-1H-pyrazole?
The InChIKey is NZVMCTOTCUZCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2/c1-3-7-14-12(5-1)11-13-6-2-4-8-15(13)17(14)16-9-10-18-19-16/h1-11H,(H,18,19).
What are the key properties of 5-anthracen-9-yl-1H-pyrazole?
5-anthracen-9-yl-1H-pyrazole has a molecular weight of 244.30 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anthracen-9-yl-1H-pyrazole is sourced from PubChem (CID 21252622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).