5-(4-bromophenyl)-2,3-diphenyl-3,4-dihydropyrazole

C21H17BrN2 — CID 3089608

IUPAC5-(4-bromophenyl)-2,3-diphenyl-3,4-dihydropyrazole
SMILESBrc1ccc(C2=NN(c3ccccc3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C21H17BrN2/c22-18-13-11-16(12-14-18)20-15-21(17-7-3-1-4-8-17)24(23-20)19-9-5-2-6-10-19/h1-14,21H,15H2
InChIKeyZYYZATNTBPPLOR-UHFFFAOYSA-N
MW377.29 g/mol
LogP5.80
Rot. Bonds3

About 5-(4-bromophenyl)-2,3-diphenyl-3,4-dihydropyrazole

5-(4-bromophenyl)-2,3-diphenyl-3,4-dihydropyrazole (PubChem CID 3089608) has the molecular formula C21H17BrN2 and a molecular weight of 377.29 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2,3-diphenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-2,3-diphenyl-3,4-dihydropyrazole
PubChem CID3089608
Molecular FormulaC21H17BrN2
Molecular Weight377.29 g/mol
Exact Mass376.06
IUPAC Name5-(4-bromophenyl)-2,3-diphenyl-3,4-dihydropyrazole
SMILESBrc1ccc(C2=NN(c3ccccc3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C21H17BrN2/c22-18-13-11-16(12-14-18)20-15-21(17-7-3-1-4-8-17)24(23-20)19-9-5-2-6-10-19/h1-14,21H,15H2
InChIKeyZYYZATNTBPPLOR-UHFFFAOYSA-N
XLogP5.80
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.29
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2,3-diphenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(4-bromophenyl)-2,3-diphenyl-3,4-dihydropyrazole (CID 3089608) is 5-(4-bromophenyl)-2,3-diphenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(4-bromophenyl)-2,3-diphenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(4-bromophenyl)-2,3-diphenyl-3,4-dihydropyrazole is Brc1ccc(C2=NN(c3ccccc3)C(c3ccccc3)C2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-2,3-diphenyl-3,4-dihydropyrazole?
The InChIKey is ZYYZATNTBPPLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2/c22-18-13-11-16(12-14-18)20-15-21(17-7-3-1-4-8-17)24(23-20)19-9-5-2-6-10-19/h1-14,21H,15H2.
What are the key properties of 5-(4-bromophenyl)-2,3-diphenyl-3,4-dihydropyrazole?
5-(4-bromophenyl)-2,3-diphenyl-3,4-dihydropyrazole has a molecular weight of 377.29 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2,3-diphenyl-3,4-dihydropyrazole is sourced from PubChem (CID 3089608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).