ethene;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole

C11H12N2O — CID 143806160

IUPACethene;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole
SMILESC(=C/c1ccco1)\c1ccn[nH]1.C=C
InChIInChI=1S/C9H8N2O.C2H4/c1-2-9(12-7-1)4-3-8-5-6-10-11-8;1-2/h1-7H,(H,10,11);1-2H2/b4-3+;
InChIKeyHEZSQNLJPWOTAK-BJILWQEISA-N
MW188.23 g/mol
LogP2.98
Rot. Bonds2

About ethene;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole

ethene;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole (PubChem CID 143806160) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is ethene;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole.

Molecular Properties

Compound Nameethene;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole
PubChem CID143806160
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Nameethene;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole
SMILESC(=C/c1ccco1)\c1ccn[nH]1.C=C
InChIInChI=1S/C9H8N2O.C2H4/c1-2-9(12-7-1)4-3-8-5-6-10-11-8;1-2/h1-7H,(H,10,11);1-2H2/b4-3+;
InChIKeyHEZSQNLJPWOTAK-BJILWQEISA-N
XLogP2.98
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole?
The IUPAC name of ethene;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole (CID 143806160) is ethene;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole.
What is the SMILES notation for ethene;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole?
The canonical SMILES for ethene;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole is C(=C/c1ccco1)\c1ccn[nH]1.C=C.
What is the InChIKey of ethene;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole?
The InChIKey is HEZSQNLJPWOTAK-BJILWQEISA-N. The full InChI is InChI=1S/C9H8N2O.C2H4/c1-2-9(12-7-1)4-3-8-5-6-10-11-8;1-2/h1-7H,(H,10,11);1-2H2/b4-3+;.
What are the key properties of ethene;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole?
ethene;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole has a molecular weight of 188.23 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole is sourced from PubChem (CID 143806160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).