5-(4-bromophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole

C25H19BrN2 — CID 71524918

IUPAC5-(4-bromophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole
SMILESBrc1ccc(C2=NN(c3ccccc3)C(c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C25H19BrN2/c26-20-15-13-19(14-16-20)24-17-25(28(27-24)21-9-2-1-3-10-21)23-12-6-8-18-7-4-5-11-22(18)23/h1-16,25H,17H2
InChIKeyWRQKYTMPGPMLPI-UHFFFAOYSA-N
MW427.35 g/mol
LogP6.96
Rot. Bonds3

About 5-(4-bromophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole

5-(4-bromophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole (PubChem CID 71524918) has the molecular formula C25H19BrN2 and a molecular weight of 427.35 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole
PubChem CID71524918
Molecular FormulaC25H19BrN2
Molecular Weight427.35 g/mol
Exact Mass426.07
IUPAC Name5-(4-bromophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole
SMILESBrc1ccc(C2=NN(c3ccccc3)C(c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C25H19BrN2/c26-20-15-13-19(14-16-20)24-17-25(28(27-24)21-9-2-1-3-10-21)23-12-6-8-18-7-4-5-11-22(18)23/h1-16,25H,17H2
InChIKeyWRQKYTMPGPMLPI-UHFFFAOYSA-N
XLogP6.96
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.35
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(4-bromophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole 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-(4-bromophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(4-bromophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole (CID 71524918) is 5-(4-bromophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(4-bromophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(4-bromophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole is Brc1ccc(C2=NN(c3ccccc3)C(c3cccc4ccccc34)C2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole?
The InChIKey is WRQKYTMPGPMLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BrN2/c26-20-15-13-19(14-16-20)24-17-25(28(27-24)21-9-2-1-3-10-21)23-12-6-8-18-7-4-5-11-22(18)23/h1-16,25H,17H2.
What are the key properties of 5-(4-bromophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole?
5-(4-bromophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole has a molecular weight of 427.35 g/mol, XLogP of 6.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 71524918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).