5-anthracen-9-yl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole

C24H20N2 — CID 54597436

IUPAC5-anthracen-9-yl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole
SMILESCc1ccc(C2=NNC(c3c4ccccc4cc4ccccc34)C2)cc1
InChIInChI=1S/C24H20N2/c1-16-10-12-17(13-11-16)22-15-23(26-25-22)24-20-8-4-2-6-18(20)14-19-7-3-5-9-21(19)24/h2-14,23,26H,15H2,1H3
InChIKeyUWNNHPAQPRKERJ-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.74
Rot. Bonds2

About 5-anthracen-9-yl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole

5-anthracen-9-yl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole (PubChem CID 54597436) has the molecular formula C24H20N2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-anthracen-9-yl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-anthracen-9-yl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole
PubChem CID54597436
Molecular FormulaC24H20N2
Molecular Weight336.44 g/mol
Exact Mass336.16
IUPAC Name5-anthracen-9-yl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole
SMILESCc1ccc(C2=NNC(c3c4ccccc4cc4ccccc34)C2)cc1
InChIInChI=1S/C24H20N2/c1-16-10-12-17(13-11-16)22-15-23(26-25-22)24-20-8-4-2-6-18(20)14-19-7-3-5-9-21(19)24/h2-14,23,26H,15H2,1H3
InChIKeyUWNNHPAQPRKERJ-UHFFFAOYSA-N
XLogP5.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-anthracen-9-yl-3-(4-methylphenyl)-4,5-dihydro-1H-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 5-anthracen-9-yl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-anthracen-9-yl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole (CID 54597436) is 5-anthracen-9-yl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-anthracen-9-yl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-anthracen-9-yl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole is Cc1ccc(C2=NNC(c3c4ccccc4cc4ccccc34)C2)cc1.
What is the InChIKey of 5-anthracen-9-yl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole?
The InChIKey is UWNNHPAQPRKERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2/c1-16-10-12-17(13-11-16)22-15-23(26-25-22)24-20-8-4-2-6-18(20)14-19-7-3-5-9-21(19)24/h2-14,23,26H,15H2,1H3.
What are the key properties of 5-anthracen-9-yl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole?
5-anthracen-9-yl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole has a molecular weight of 336.44 g/mol, XLogP of 5.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anthracen-9-yl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 54597436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).