3-anthracen-9-yl-5-phenyl-4,5-dihydro-3H-pyrazole

C23H18N2 — CID 91932394

IUPAC3-anthracen-9-yl-5-phenyl-4,5-dihydro-3H-pyrazole
SMILESc1ccc(C2CC(c3c4ccccc4cc4ccccc34)N=N2)cc1
InChIInChI=1S/C23H18N2/c1-2-8-16(9-3-1)21-15-22(25-24-21)23-19-12-6-4-10-17(19)14-18-11-5-7-13-20(18)23/h1-14,21-22H,15H2
InChIKeyBQGQZXQTMPUOBR-UHFFFAOYSA-N
MW322.41 g/mol
LogP6.63
Rot. Bonds2

About 3-anthracen-9-yl-5-phenyl-4,5-dihydro-3H-pyrazole

3-anthracen-9-yl-5-phenyl-4,5-dihydro-3H-pyrazole (PubChem CID 91932394) has the molecular formula C23H18N2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-anthracen-9-yl-5-phenyl-4,5-dihydro-3H-pyrazole.

Molecular Properties

Compound Name3-anthracen-9-yl-5-phenyl-4,5-dihydro-3H-pyrazole
PubChem CID91932394
Molecular FormulaC23H18N2
Molecular Weight322.41 g/mol
Exact Mass322.15
IUPAC Name3-anthracen-9-yl-5-phenyl-4,5-dihydro-3H-pyrazole
SMILESc1ccc(C2CC(c3c4ccccc4cc4ccccc34)N=N2)cc1
InChIInChI=1S/C23H18N2/c1-2-8-16(9-3-1)21-15-22(25-24-21)23-19-12-6-4-10-17(19)14-18-11-5-7-13-20(18)23/h1-14,21-22H,15H2
InChIKeyBQGQZXQTMPUOBR-UHFFFAOYSA-N
XLogP6.63
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-anthracen-9-yl-5-phenyl-4,5-dihydro-3H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-anthracen-9-yl-5-phenyl-4,5-dihydro-3H-pyrazole?
The IUPAC name of 3-anthracen-9-yl-5-phenyl-4,5-dihydro-3H-pyrazole (CID 91932394) is 3-anthracen-9-yl-5-phenyl-4,5-dihydro-3H-pyrazole.
What is the SMILES notation for 3-anthracen-9-yl-5-phenyl-4,5-dihydro-3H-pyrazole?
The canonical SMILES for 3-anthracen-9-yl-5-phenyl-4,5-dihydro-3H-pyrazole is c1ccc(C2CC(c3c4ccccc4cc4ccccc34)N=N2)cc1.
What is the InChIKey of 3-anthracen-9-yl-5-phenyl-4,5-dihydro-3H-pyrazole?
The InChIKey is BQGQZXQTMPUOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2/c1-2-8-16(9-3-1)21-15-22(25-24-21)23-19-12-6-4-10-17(19)14-18-11-5-7-13-20(18)23/h1-14,21-22H,15H2.
What are the key properties of 3-anthracen-9-yl-5-phenyl-4,5-dihydro-3H-pyrazole?
3-anthracen-9-yl-5-phenyl-4,5-dihydro-3H-pyrazole has a molecular weight of 322.41 g/mol, XLogP of 6.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anthracen-9-yl-5-phenyl-4,5-dihydro-3H-pyrazole is sourced from PubChem (CID 91932394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).