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

C19H14Br2N2S — CID 3093187

IUPAC2-(3-bromophenyl)-5-(4-bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESBrc1ccc(C2=NN(c3cccc(Br)c3)C(c3cccs3)C2)cc1
InChIInChI=1S/C19H14Br2N2S/c20-14-8-6-13(7-9-14)17-12-18(19-5-2-10-24-19)23(22-17)16-4-1-3-15(21)11-16/h1-11,18H,12H2
InChIKeyGFZHFRAHFLURMB-UHFFFAOYSA-N
MW462.21 g/mol
LogP6.63
Rot. Bonds3

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

2-(3-bromophenyl)-5-(4-bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 3093187) has the molecular formula C19H14Br2N2S and a molecular weight of 462.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-(4-bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-(4-bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID3093187
Molecular FormulaC19H14Br2N2S
Molecular Weight462.21 g/mol
Exact Mass459.92
IUPAC Name2-(3-bromophenyl)-5-(4-bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESBrc1ccc(C2=NN(c3cccc(Br)c3)C(c3cccs3)C2)cc1
InChIInChI=1S/C19H14Br2N2S/c20-14-8-6-13(7-9-14)17-12-18(19-5-2-10-24-19)23(22-17)16-4-1-3-15(21)11-16/h1-11,18H,12H2
InChIKeyGFZHFRAHFLURMB-UHFFFAOYSA-N
XLogP6.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.21
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-2-(4-bromophenyl)-5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7206586
(3R)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7331674
(3S)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7331673
1-[5-(4-bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 47081862
3,5-bis(4-bromophenyl)-2-(3-chlorophenyl)-3,4-dihydropyrazole
CID 3703688
(3S)-5-(4-ethoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7329383
(5E)-5-[(4-bromophenyl)methylidene]-2-[5-(4-chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 11283946
2-(3-bromophenyl)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 3142858
(3R)-5-(4-bromophenyl)-2-(3-fluorophenyl)-3-phenyl-3,4-dihydropyrazole
CID 7452769
(5R,10bS)-7,9-dibromo-2-(4-bromophenyl)-5-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 124631873
(5R,10bR)-2-(4-bromophenyl)-5-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 42399313
(3R)-5-(4-chlorophenyl)-2-(2-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7242051

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5-(4-bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 2-(3-bromophenyl)-5-(4-bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole (CID 3093187) is 2-(3-bromophenyl)-5-(4-bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 2-(3-bromophenyl)-5-(4-bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 2-(3-bromophenyl)-5-(4-bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole is Brc1ccc(C2=NN(c3cccc(Br)c3)C(c3cccs3)C2)cc1.
What is the InChIKey of 2-(3-bromophenyl)-5-(4-bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is GFZHFRAHFLURMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Br2N2S/c20-14-8-6-13(7-9-14)17-12-18(19-5-2-10-24-19)23(22-17)16-4-1-3-15(21)11-16/h1-11,18H,12H2.
What are the key properties of 2-(3-bromophenyl)-5-(4-bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole?
2-(3-bromophenyl)-5-(4-bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 462.21 g/mol, XLogP of 6.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5-(4-bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 3093187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).