1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-phenyl-2-(2-phenylphenyl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole

C36H27N5OS — CID 141279407

IUPAC1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-phenyl-2-(2-phenylphenyl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole
SMILESc1ccc(-c2ccccc2N2N(c3ccco3)C(c3cccs3)=C(c3ccc[nH]3)C2(c2ccccc2)c2ncc[nH]2)cc1
InChIInChI=1S/C36H27N5OS/c1-3-12-26(13-4-1)28-16-7-8-18-30(28)41-36(35-38-22-23-39-35,27-14-5-2-6-15-27)33(29-17-9-21-37-29)34(31-19-11-25-43-31)40(41)32-20-10-24-42-32/h1-25,37H,(H,38,39)
InChIKeyWNSDJKLDFBKYDM-UHFFFAOYSA-N
MW577.71 g/mol
LogP8.81
Rot. Bonds7

About 1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-phenyl-2-(2-phenylphenyl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole

1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-phenyl-2-(2-phenylphenyl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole (PubChem CID 141279407) has the molecular formula C36H27N5OS and a molecular weight of 577.71 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-phenyl-2-(2-phenylphenyl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-phenyl-2-(2-phenylphenyl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole
PubChem CID141279407
Molecular FormulaC36H27N5OS
Molecular Weight577.71 g/mol
Exact Mass577.19
IUPAC Name1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-phenyl-2-(2-phenylphenyl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole
SMILESc1ccc(-c2ccccc2N2N(c3ccco3)C(c3cccs3)=C(c3ccc[nH]3)C2(c2ccccc2)c2ncc[nH]2)cc1
InChIInChI=1S/C36H27N5OS/c1-3-12-26(13-4-1)28-16-7-8-18-30(28)41-36(35-38-22-23-39-35,27-14-5-2-6-15-27)33(29-17-9-21-37-29)34(31-19-11-25-43-31)40(41)32-20-10-24-42-32/h1-25,37H,(H,38,39)
InChIKeyWNSDJKLDFBKYDM-UHFFFAOYSA-N
XLogP8.81
TPSA64.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.71
LogP ≤ 58.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-dimethyl-3,6-dihydro-2H-pyridine;3,4-dimethylfuran;3,4-dimethylthiophene;6-methyl-1H-benzimidazole;1-(3-methylindol-1-yl)ethanone
CID 53850154
1-(furan-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole
CID 54189058
3-[5-Chloro-2-(1-thiophen-2-ylimidazol-4-yl)phenyl]-1-(furan-2-yl)-4-phenyltriazol-1-ium
CID 123414388
1-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole
CID 140977165
2-[2-(furan-2-yl)-5-pyridin-2-yl-1-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazol-3-yl]-1,3-thiazole
CID 140989766
1-(furan-2-yl)-4-(1H-imidazol-2-yl)-1-naphthalen-1-yl-1-phenyl-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazole
CID 141006443
2-[1-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-pyridin-2-ylpyrazol-3-yl]-1,3-thiazole
CID 141013788
1-(furan-2-yl)-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole
CID 141036720
2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-pyridin-2-yl-2-thiophen-2-ylpyrazol-4-yl]pyrimidine
CID 141142487
2-[5-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyridin-2-ylthiophen-3-yl]-1H-benzimidazole
CID 141156860
2-[1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-thiophen-2-ylpyrrol-3-yl]pyrimidine
CID 141206086
1-(furan-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole
CID 141214135

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-phenyl-2-(2-phenylphenyl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole?
The IUPAC name of 1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-phenyl-2-(2-phenylphenyl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole (CID 141279407) is 1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-phenyl-2-(2-phenylphenyl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole.
What is the SMILES notation for 1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-phenyl-2-(2-phenylphenyl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole?
The canonical SMILES for 1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-phenyl-2-(2-phenylphenyl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole is c1ccc(-c2ccccc2N2N(c3ccco3)C(c3cccs3)=C(c3ccc[nH]3)C2(c2ccccc2)c2ncc[nH]2)cc1.
What is the InChIKey of 1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-phenyl-2-(2-phenylphenyl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole?
The InChIKey is WNSDJKLDFBKYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N5OS/c1-3-12-26(13-4-1)28-16-7-8-18-30(28)41-36(35-38-22-23-39-35,27-14-5-2-6-15-27)33(29-17-9-21-37-29)34(31-19-11-25-43-31)40(41)32-20-10-24-42-32/h1-25,37H,(H,38,39).
What are the key properties of 1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-phenyl-2-(2-phenylphenyl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole?
1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-phenyl-2-(2-phenylphenyl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole has a molecular weight of 577.71 g/mol, XLogP of 8.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-phenyl-2-(2-phenylphenyl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole is sourced from PubChem (CID 141279407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).