5-[4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylfuran-3-yl]-2H-tetrazole

C16H11N7OS — CID 140968854

IUPAC5-[4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylfuran-3-yl]-2H-tetrazole
SMILESc1c[nH]c(-c2oc(-c3cccs3)c(-c3ccn[nH]3)c2-c2nn[nH]n2)c1
InChIInChI=1S/C16H11N7OS/c1-3-10(17-6-1)14-13(16-20-22-23-21-16)12(9-5-7-18-19-9)15(24-14)11-4-2-8-25-11/h1-8,17H,(H,18,19)(H,20,21,22,23)
InChIKeySJVLEZVNTJVINB-UHFFFAOYSA-N
MW349.38 g/mol
LogP3.57
Rot. Bonds4

About 5-[4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylfuran-3-yl]-2H-tetrazole

5-[4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylfuran-3-yl]-2H-tetrazole (PubChem CID 140968854) has the molecular formula C16H11N7OS and a molecular weight of 349.38 g/mol. Its IUPAC name is 5-[4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylfuran-3-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylfuran-3-yl]-2H-tetrazole
PubChem CID140968854
Molecular FormulaC16H11N7OS
Molecular Weight349.38 g/mol
Exact Mass349.07
IUPAC Name5-[4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylfuran-3-yl]-2H-tetrazole
SMILESc1c[nH]c(-c2oc(-c3cccs3)c(-c3ccn[nH]3)c2-c2nn[nH]n2)c1
InChIInChI=1S/C16H11N7OS/c1-3-10(17-6-1)14-13(16-20-22-23-21-16)12(9-5-7-18-19-9)15(24-14)11-4-2-8-25-11/h1-8,17H,(H,18,19)(H,20,21,22,23)
InChIKeySJVLEZVNTJVINB-UHFFFAOYSA-N
XLogP3.57
TPSA112.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-[2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-1H-imidazol-5-yl]-2H-triazole
CID 136655709
4-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine
CID 141002534
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
5-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-thiophen-2-yl-1H-pyrazole
CID 141042261
2-[5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazol-1-yl]pyridine
CID 141158603
4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyridine
CID 141307333
5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-pyrazole
CID 141330938
5-[4-(furan-2-yl)-3-(1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrazole
CID 141396036
2-[5-(1H-pyrazol-5-yl)-2-(2H-tetrazol-5-yl)-4-(2H-triazol-4-yl)furan-3-yl]pyrazine
CID 141526063
2-[4-(1H-pyrrol-2-yl)-3-thiophen-2-ylfuran-2-yl]pyridine
CID 173548835

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylfuran-3-yl]-2H-tetrazole?
The IUPAC name of 5-[4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylfuran-3-yl]-2H-tetrazole (CID 140968854) is 5-[4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylfuran-3-yl]-2H-tetrazole.
What is the SMILES notation for 5-[4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylfuran-3-yl]-2H-tetrazole?
The canonical SMILES for 5-[4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylfuran-3-yl]-2H-tetrazole is c1c[nH]c(-c2oc(-c3cccs3)c(-c3ccn[nH]3)c2-c2nn[nH]n2)c1.
What is the InChIKey of 5-[4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylfuran-3-yl]-2H-tetrazole?
The InChIKey is SJVLEZVNTJVINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N7OS/c1-3-10(17-6-1)14-13(16-20-22-23-21-16)12(9-5-7-18-19-9)15(24-14)11-4-2-8-25-11/h1-8,17H,(H,18,19)(H,20,21,22,23).
What are the key properties of 5-[4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylfuran-3-yl]-2H-tetrazole?
5-[4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylfuran-3-yl]-2H-tetrazole has a molecular weight of 349.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylfuran-3-yl]-2H-tetrazole is sourced from PubChem (CID 140968854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).