5-[(E)-2-(furan-2-yl)ethenyl]-3-[5-[(E)-2-(1H-pyrazol-5-yl)ethenyl]thiophen-2-yl]-1H-pyrazole

C18H14N4OS — CID 129168858

IUPAC5-[(E)-2-(furan-2-yl)ethenyl]-3-[5-[(E)-2-(1H-pyrazol-5-yl)ethenyl]thiophen-2-yl]-1H-pyrazole
SMILESC(=C/c1ccc(-c2cc(/C=C/c3ccco3)[nH]n2)s1)\c1ccn[nH]1
InChIInChI=1S/C18H14N4OS/c1-2-15(23-11-1)5-3-14-12-17(22-21-14)18-8-7-16(24-18)6-4-13-9-10-19-20-13/h1-12H,(H,19,20)(H,21,22)/b5-3+,6-4+
InChIKeyNMSWEHXSXOADJD-GGWOSOGESA-N
MW334.40 g/mol
LogP4.80
Rot. Bonds5

About 5-[(E)-2-(furan-2-yl)ethenyl]-3-[5-[(E)-2-(1H-pyrazol-5-yl)ethenyl]thiophen-2-yl]-1H-pyrazole

5-[(E)-2-(furan-2-yl)ethenyl]-3-[5-[(E)-2-(1H-pyrazol-5-yl)ethenyl]thiophen-2-yl]-1H-pyrazole (PubChem CID 129168858) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is 5-[(E)-2-(furan-2-yl)ethenyl]-3-[5-[(E)-2-(1H-pyrazol-5-yl)ethenyl]thiophen-2-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[(E)-2-(furan-2-yl)ethenyl]-3-[5-[(E)-2-(1H-pyrazol-5-yl)ethenyl]thiophen-2-yl]-1H-pyrazole
PubChem CID129168858
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name5-[(E)-2-(furan-2-yl)ethenyl]-3-[5-[(E)-2-(1H-pyrazol-5-yl)ethenyl]thiophen-2-yl]-1H-pyrazole
SMILESC(=C/c1ccc(-c2cc(/C=C/c3ccco3)[nH]n2)s1)\c1ccn[nH]1
InChIInChI=1S/C18H14N4OS/c1-2-15(23-11-1)5-3-14-12-17(22-21-14)18-8-7-16(24-18)6-4-13-9-10-19-20-13/h1-12H,(H,19,20)(H,21,22)/b5-3+,6-4+
InChIKeyNMSWEHXSXOADJD-GGWOSOGESA-N
XLogP4.80
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(furan-2-yl)ethenyl]-3-[5-[(E)-2-(1H-pyrazol-5-yl)ethenyl]thiophen-2-yl]-1H-pyrazole?
The IUPAC name of 5-[(E)-2-(furan-2-yl)ethenyl]-3-[5-[(E)-2-(1H-pyrazol-5-yl)ethenyl]thiophen-2-yl]-1H-pyrazole (CID 129168858) is 5-[(E)-2-(furan-2-yl)ethenyl]-3-[5-[(E)-2-(1H-pyrazol-5-yl)ethenyl]thiophen-2-yl]-1H-pyrazole.
What is the SMILES notation for 5-[(E)-2-(furan-2-yl)ethenyl]-3-[5-[(E)-2-(1H-pyrazol-5-yl)ethenyl]thiophen-2-yl]-1H-pyrazole?
The canonical SMILES for 5-[(E)-2-(furan-2-yl)ethenyl]-3-[5-[(E)-2-(1H-pyrazol-5-yl)ethenyl]thiophen-2-yl]-1H-pyrazole is C(=C/c1ccc(-c2cc(/C=C/c3ccco3)[nH]n2)s1)\c1ccn[nH]1.
What is the InChIKey of 5-[(E)-2-(furan-2-yl)ethenyl]-3-[5-[(E)-2-(1H-pyrazol-5-yl)ethenyl]thiophen-2-yl]-1H-pyrazole?
The InChIKey is NMSWEHXSXOADJD-GGWOSOGESA-N. The full InChI is InChI=1S/C18H14N4OS/c1-2-15(23-11-1)5-3-14-12-17(22-21-14)18-8-7-16(24-18)6-4-13-9-10-19-20-13/h1-12H,(H,19,20)(H,21,22)/b5-3+,6-4+.
What are the key properties of 5-[(E)-2-(furan-2-yl)ethenyl]-3-[5-[(E)-2-(1H-pyrazol-5-yl)ethenyl]thiophen-2-yl]-1H-pyrazole?
5-[(E)-2-(furan-2-yl)ethenyl]-3-[5-[(E)-2-(1H-pyrazol-5-yl)ethenyl]thiophen-2-yl]-1H-pyrazole has a molecular weight of 334.40 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(furan-2-yl)ethenyl]-3-[5-[(E)-2-(1H-pyrazol-5-yl)ethenyl]thiophen-2-yl]-1H-pyrazole is sourced from PubChem (CID 129168858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).