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

C15H11N3OS — CID 141330938

IUPAC5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-pyrazole
SMILESc1c[nH]c(-c2n[nH]c(-c3ccco3)c2-c2cccs2)c1
InChIInChI=1S/C15H11N3OS/c1-4-10(16-7-1)14-13(12-6-3-9-20-12)15(18-17-14)11-5-2-8-19-11/h1-9,16H,(H,17,18)
InChIKeyDTVKWUPCQDARGJ-UHFFFAOYSA-N
MW281.34 g/mol
LogP4.39
Rot. Bonds3

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

5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-pyrazole (PubChem CID 141330938) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-pyrazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-pyrazole
PubChem CID141330938
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC Name5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-pyrazole
SMILESc1c[nH]c(-c2n[nH]c(-c3ccco3)c2-c2cccs2)c1
InChIInChI=1S/C15H11N3OS/c1-4-10(16-7-1)14-13(12-6-3-9-20-12)15(18-17-14)11-5-2-8-19-11/h1-9,16H,(H,17,18)
InChIKeyDTVKWUPCQDARGJ-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
1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 75467751
1-[5-(1H-pyrazol-5-yl)-2-furyl]-N-(tetrahydrofuran-2-ylmethyl)-N-(3-thienylmethyl)methanamine
CID 46991281
N-methyl-1-[5-(1H-pyrazol-3-yl)-2-furyl]-N-(3-thienylmethyl)methanamine
CID 50967281
3-(furan-2-yl)-N-((4-methyl-2-(thiophen-2-yl)thiazol-5-yl)methyl)-1H-pyrazole-5-carboxamide
CID 71795401
N-((5-(furan-2-yl)-1-methyl-1H-pyrazol-3-yl)methyl)thiophene-3-carboxamide
CID 71797288
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
1-[[3-(Furan-2-yl)-1-(4-thiophen-3-ylphenyl)pyrazol-4-yl]methyl]-4-methylpiperazine
CID 12133100
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
N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide
CID 68062263

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-pyrazole?
The IUPAC name of 5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-pyrazole (CID 141330938) is 5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-pyrazole.
What is the SMILES notation for 5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-pyrazole?
The canonical SMILES for 5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-pyrazole is c1c[nH]c(-c2n[nH]c(-c3ccco3)c2-c2cccs2)c1.
What is the InChIKey of 5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-pyrazole?
The InChIKey is DTVKWUPCQDARGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c1-4-10(16-7-1)14-13(12-6-3-9-20-12)15(18-17-14)11-5-2-8-19-11/h1-9,16H,(H,17,18).
What are the key properties of 5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-pyrazole?
5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-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-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-pyrazole is sourced from PubChem (CID 141330938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).