5-[4-(furan-2-yl)-3-(1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrazole

C15H11N3OS — CID 141396036

IUPAC5-[4-(furan-2-yl)-3-(1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrazole
SMILESc1c[nH]c(-c2c(-c3ccco3)csc2-c2ccn[nH]2)c1
InChIInChI=1S/C15H11N3OS/c1-3-11(16-6-1)14-10(13-4-2-8-19-13)9-20-15(14)12-5-7-17-18-12/h1-9,16H,(H,17,18)
InChIKeyMGQLAHFVHZQWBB-UHFFFAOYSA-N
MW281.34 g/mol
LogP4.39
Rot. Bonds3

About 5-[4-(furan-2-yl)-3-(1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrazole

5-[4-(furan-2-yl)-3-(1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrazole (PubChem CID 141396036) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is 5-[4-(furan-2-yl)-3-(1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[4-(furan-2-yl)-3-(1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrazole
PubChem CID141396036
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC Name5-[4-(furan-2-yl)-3-(1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrazole
SMILESc1c[nH]c(-c2c(-c3ccco3)csc2-c2ccn[nH]2)c1
InChIInChI=1S/C15H11N3OS/c1-3-11(16-6-1)14-10(13-4-2-8-19-13)9-20-15(14)12-5-7-17-18-12/h1-9,16H,(H,17,18)
InChIKeyMGQLAHFVHZQWBB-UHFFFAOYSA-N
XLogP4.39
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-1-pyridin-3-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 46953715
Furyl(thienyl)pyrrole
CID 129782024
3-(furan-2-yl)-N-((5-(thiophen-2-yl)pyridin-3-yl)methyl)-1H-pyrazole-5-carboxamide
CID 91630659
4-(furan-3-yl)-3-thiophen-3-yl-1H-pyrazolo[4,3-c]pyridine
CID 132452775
2-(furan-2-yl)-3-thiophen-2-yl-1H-pyrrole
CID 18788916
4-[5-(furan-2-yl)-1H-pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 46836652
3-(Aminomethyl)-1-[4-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophen-2-yl]-4-phenylbutan-1-one
CID 58201449
3-[4-(Furan-2-ylmethylsulfanyl)-1H-pyrazol-3-yl]-pyridine
CID 67284057
2-[2-(furan-2-ylmethyl)-3-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)propyl]-1,3-thiazole
CID 91100512
4-[5-(furan-2-yl)-1H-pyrazol-4-yl]-5-pyridin-2-yl-1,3-thiazol-2-amine
CID 91527481
4-[4-deuterio-3-[3-(1H-pyrrol-2-yl)furan-2-yl]thiophen-2-yl]-1,3-thiazole
CID 91804953
N'-[[1-[5-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]furan-3-yl]-3-thiophen-2-ylpyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 123705796

Frequently Asked Questions

What is the IUPAC name of 5-[4-(furan-2-yl)-3-(1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrazole?
The IUPAC name of 5-[4-(furan-2-yl)-3-(1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrazole (CID 141396036) is 5-[4-(furan-2-yl)-3-(1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrazole.
What is the SMILES notation for 5-[4-(furan-2-yl)-3-(1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrazole?
The canonical SMILES for 5-[4-(furan-2-yl)-3-(1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrazole is c1c[nH]c(-c2c(-c3ccco3)csc2-c2ccn[nH]2)c1.
What is the InChIKey of 5-[4-(furan-2-yl)-3-(1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrazole?
The InChIKey is MGQLAHFVHZQWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c1-3-11(16-6-1)14-10(13-4-2-8-19-13)9-20-15(14)12-5-7-17-18-12/h1-9,16H,(H,17,18).
What are the key properties of 5-[4-(furan-2-yl)-3-(1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrazole?
5-[4-(furan-2-yl)-3-(1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrazole has a molecular weight of 281.34 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(furan-2-yl)-3-(1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrazole is sourced from PubChem (CID 141396036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).