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

C18H13N5OS — CID 140977165

IUPAC1-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole
SMILESc1c[nH]c(-c2c(-c3ncc[nH]3)nn(-c3ccco3)c2-c2cccs2)c1
InChIInChI=1S/C18H13N5OS/c1-4-12(19-7-1)15-16(18-20-8-9-21-18)22-23(14-6-2-10-24-14)17(15)13-5-3-11-25-13/h1-11,19H,(H,20,21)
InChIKeyFKCVUMVCBVSQSI-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.58
Rot. Bonds4

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

1-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole (PubChem CID 140977165) has the molecular formula C18H13N5OS and a molecular weight of 347.40 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name1-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole
PubChem CID140977165
Molecular FormulaC18H13N5OS
Molecular Weight347.40 g/mol
Exact Mass347.08
IUPAC Name1-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole
SMILESc1c[nH]c(-c2c(-c3ncc[nH]3)nn(-c3ccco3)c2-c2cccs2)c1
InChIInChI=1S/C18H13N5OS/c1-4-12(19-7-1)15-16(18-20-8-9-21-18)22-23(14-6-2-10-24-14)17(15)13-5-3-11-25-13/h1-11,19H,(H,20,21)
InChIKeyFKCVUMVCBVSQSI-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

(5Z)-5-(furan-2-ylmethylidene)-2-[3-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 122183068
1-(furan-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole
CID 54189058
furan;2-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,2-oxazole;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 67212847
4-[4-(1,3-oxazol-2-yl)-2-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]thiophen-3-yl]oxadiazole
CID 136509959
4-[2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-1H-imidazol-5-yl]-2H-triazole
CID 136655709
1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazole
CID 140977850
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
2-[1-(furan-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-1H-azepine
CID 140991639
2-[1-(furan-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(thiolan-2-yl)-5-thiophen-2-ylimidazol-2-yl]pyrimidine
CID 140999701
3-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,3-oxazolidine
CID 141002498
5-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazole
CID 141004623
5-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(2H-pyran-2-yl)-1-thiophen-2-ylpyrazole
CID 141005015

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole?
The IUPAC name of 1-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole (CID 140977165) is 1-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole.
What is the SMILES notation for 1-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole?
The canonical SMILES for 1-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole is c1c[nH]c(-c2c(-c3ncc[nH]3)nn(-c3ccco3)c2-c2cccs2)c1.
What is the InChIKey of 1-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole?
The InChIKey is FKCVUMVCBVSQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5OS/c1-4-12(19-7-1)15-16(18-20-8-9-21-18)22-23(14-6-2-10-24-14)17(15)13-5-3-11-25-13/h1-11,19H,(H,20,21).
What are the key properties of 1-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole?
1-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrrol-2-yl)-5-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 1-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole is sourced from PubChem (CID 140977165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).