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

C19H15BrN2S — CID 45356706

IUPAC3-(4-bromophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESBrc1ccc(C2CC(c3cccs3)=NN2c2ccccc2)cc1
InChIInChI=1S/C19H15BrN2S/c20-15-10-8-14(9-11-15)18-13-17(19-7-4-12-23-19)21-22(18)16-5-2-1-3-6-16/h1-12,18H,13H2
InChIKeyXRWUFQZNXCGKOK-UHFFFAOYSA-N
MW383.31 g/mol
LogP5.87
Rot. Bonds3

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

3-(4-bromophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 45356706) has the molecular formula C19H15BrN2S and a molecular weight of 383.31 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID45356706
Molecular FormulaC19H15BrN2S
Molecular Weight383.31 g/mol
Exact Mass382.01
IUPAC Name3-(4-bromophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESBrc1ccc(C2CC(c3cccs3)=NN2c2ccccc2)cc1
InChIInChI=1S/C19H15BrN2S/c20-15-10-8-14(9-11-15)18-13-17(19-7-4-12-23-19)21-22(18)16-5-2-1-3-6-16/h1-12,18H,13H2
InChIKeyXRWUFQZNXCGKOK-UHFFFAOYSA-N
XLogP5.87
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 ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 3-(4-bromophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole (CID 45356706) is 3-(4-bromophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(4-bromophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 3-(4-bromophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole is Brc1ccc(C2CC(c3cccs3)=NN2c2ccccc2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is XRWUFQZNXCGKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2S/c20-15-10-8-14(9-11-15)18-13-17(19-7-4-12-23-19)21-22(18)16-5-2-1-3-6-16/h1-12,18H,13H2.
What are the key properties of 3-(4-bromophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole?
3-(4-bromophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 383.31 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 45356706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).