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

C18H13N5OS — CID 141004623

IUPAC5-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazole
SMILESc1c[nH]c(-n2nc(-c3ncc[nH]3)c(-c3cccs3)c2-c2ccco2)c1
InChIInChI=1S/C18H13N5OS/c1-6-14(19-7-1)23-17(12-4-2-10-24-12)15(13-5-3-11-25-13)16(22-23)18-20-8-9-21-18/h1-11,19H,(H,20,21)
InChIKeyZHMNEPUMIOAOFX-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.58
Rot. Bonds4

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

5-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazole (PubChem CID 141004623) has the molecular formula C18H13N5OS and a molecular weight of 347.40 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazole
PubChem CID141004623
Molecular FormulaC18H13N5OS
Molecular Weight347.40 g/mol
Exact Mass347.08
IUPAC Name5-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazole
SMILESc1c[nH]c(-n2nc(-c3ncc[nH]3)c(-c3cccs3)c2-c2ccco2)c1
InChIInChI=1S/C18H13N5OS/c1-6-14(19-7-1)23-17(12-4-2-10-24-12)15(13-5-3-11-25-13)16(22-23)18-20-8-9-21-18/h1-11,19H,(H,20,21)
InChIKeyZHMNEPUMIOAOFX-UHFFFAOYSA-N
XLogP4.58
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(furan-2-yl)-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
CID 127034649
2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(5-thiophen-2-ylfuran-2-yl)pyrimidin-4-amine
CID 135218258
N-(2-(6-(furan-2-yl)-1H-imidazo[1,2-b]pyrazol-1-yl)ethyl)thiophene-3-carboxamide
CID 76148343
N-(2-(6-(furan-2-yl)-1H-imidazo[1,2-b]pyrazol-1-yl)ethyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 76148365
1-(2-(6-(furan-2-yl)-1H-imidazo[1,2-b]pyrazol-1-yl)ethyl)-3-(thiophen-2-ylmethyl)urea
CID 76148390
3-(furan-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 126470716
N-(furan-2-ylmethyl)-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 126475834
5-(2-Furyl)-1-(2-thienylmethyl)-1,4-dihydroimidazo[4,5-c]pyrazole
CID 136014780
3-[(2S)-2-amino-3-thiophen-3-ylpropoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine
CID 25222709
2-[2-[4-(1H-imidazol-2-yl)-5-pyrazin-2-ylpyridazin-3-yl]thiophen-3-yl]-4-(3-pyrimidin-2-yl-2-pyridinyl)-1,3-oxazole
CID 54550762
6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine
CID 57224175
6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride
CID 67618281

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazole?
The IUPAC name of 5-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazole (CID 141004623) is 5-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazole.
What is the SMILES notation for 5-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazole?
The canonical SMILES for 5-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazole is c1c[nH]c(-n2nc(-c3ncc[nH]3)c(-c3cccs3)c2-c2ccco2)c1.
What is the InChIKey of 5-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazole?
The InChIKey is ZHMNEPUMIOAOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5OS/c1-6-14(19-7-1)23-17(12-4-2-10-24-12)15(13-5-3-11-25-13)16(22-23)18-20-8-9-21-18/h1-11,19H,(H,20,21).
What are the key properties of 5-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazole?
5-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazole has a molecular weight of 347.40 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazole is sourced from PubChem (CID 141004623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).