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

C19H15BrN2S — CID 2843376

IUPAC2-(3-bromophenyl)-4-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESBrc1cccc(N2CC(c3ccccc3)C(c3cccs3)=N2)c1
InChIInChI=1S/C19H15BrN2S/c20-15-8-4-9-16(12-15)22-13-17(14-6-2-1-3-7-14)19(21-22)18-10-5-11-23-18/h1-12,17H,13H2
InChIKeyIIKQJIJBTVEQBZ-UHFFFAOYSA-N
MW383.31 g/mol
LogP5.52
Rot. Bonds3

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

2-(3-bromophenyl)-4-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 2843376) has the molecular formula C19H15BrN2S and a molecular weight of 383.31 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID2843376
Molecular FormulaC19H15BrN2S
Molecular Weight383.31 g/mol
Exact Mass382.01
IUPAC Name2-(3-bromophenyl)-4-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESBrc1cccc(N2CC(c3ccccc3)C(c3cccs3)=N2)c1
InChIInChI=1S/C19H15BrN2S/c20-15-8-4-9-16(12-15)22-13-17(14-6-2-1-3-7-14)19(21-22)18-10-5-11-23-18/h1-12,17H,13H2
InChIKeyIIKQJIJBTVEQBZ-UHFFFAOYSA-N
XLogP5.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.31
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 2-(3-bromophenyl)-4-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole (CID 2843376) is 2-(3-bromophenyl)-4-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 2-(3-bromophenyl)-4-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 2-(3-bromophenyl)-4-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole is Brc1cccc(N2CC(c3ccccc3)C(c3cccs3)=N2)c1.
What is the InChIKey of 2-(3-bromophenyl)-4-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is IIKQJIJBTVEQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2S/c20-15-8-4-9-16(12-15)22-13-17(14-6-2-1-3-7-14)19(21-22)18-10-5-11-23-18/h1-12,17H,13H2.
What are the key properties of 2-(3-bromophenyl)-4-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole?
2-(3-bromophenyl)-4-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 383.31 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 2843376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).