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

C9H8N2O — CID 44609398

IUPAC5-[(E)-2-(furan-3-yl)ethenyl]-1H-pyrazole
SMILESC(=C/c1ccn[nH]1)\c1ccoc1
InChIInChI=1S/C9H8N2O/c1(8-4-6-12-7-8)2-9-3-5-10-11-9/h1-7H,(H,10,11)/b2-1+
InChIKeyJJZCXCVBDQAHLT-OWOJBTEDSA-N
MW160.18 g/mol
LogP2.17
Rot. Bonds2

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

5-[(E)-2-(furan-3-yl)ethenyl]-1H-pyrazole (PubChem CID 44609398) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 5-[(E)-2-(furan-3-yl)ethenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[(E)-2-(furan-3-yl)ethenyl]-1H-pyrazole
PubChem CID44609398
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name5-[(E)-2-(furan-3-yl)ethenyl]-1H-pyrazole
SMILESC(=C/c1ccn[nH]1)\c1ccoc1
InChIInChI=1S/C9H8N2O/c1(8-4-6-12-7-8)2-9-3-5-10-11-9/h1-7H,(H,10,11)/b2-1+
InChIKeyJJZCXCVBDQAHLT-OWOJBTEDSA-N
XLogP2.17
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(furan-3-yl)ethenyl]-1H-pyrazole?
The IUPAC name of 5-[(E)-2-(furan-3-yl)ethenyl]-1H-pyrazole (CID 44609398) is 5-[(E)-2-(furan-3-yl)ethenyl]-1H-pyrazole.
What is the SMILES notation for 5-[(E)-2-(furan-3-yl)ethenyl]-1H-pyrazole?
The canonical SMILES for 5-[(E)-2-(furan-3-yl)ethenyl]-1H-pyrazole is C(=C/c1ccn[nH]1)\c1ccoc1.
What is the InChIKey of 5-[(E)-2-(furan-3-yl)ethenyl]-1H-pyrazole?
The InChIKey is JJZCXCVBDQAHLT-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H8N2O/c1(8-4-6-12-7-8)2-9-3-5-10-11-9/h1-7H,(H,10,11)/b2-1+.
What are the key properties of 5-[(E)-2-(furan-3-yl)ethenyl]-1H-pyrazole?
5-[(E)-2-(furan-3-yl)ethenyl]-1H-pyrazole has a molecular weight of 160.18 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(furan-3-yl)ethenyl]-1H-pyrazole is sourced from PubChem (CID 44609398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).