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

C9H8N2O — CID 42633714

IUPAC5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole
SMILESC(=C/c1ccco1)\c1ccn[nH]1
InChIInChI=1S/C9H8N2O/c1-2-9(12-7-1)4-3-8-5-6-10-11-8/h1-7H,(H,10,11)/b4-3+
InChIKeyPJLORFGDSVWAEC-ONEGZZNKSA-N
MW160.18 g/mol
LogP2.17
Rot. Bonds2

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

5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole (PubChem CID 42633714) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole
PubChem CID42633714
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole
SMILESC(=C/c1ccco1)\c1ccn[nH]1
InChIInChI=1S/C9H8N2O/c1-2-9(12-7-1)4-3-8-5-6-10-11-8/h1-7H,(H,10,11)/b4-3+
InChIKeyPJLORFGDSVWAEC-ONEGZZNKSA-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-2-yl)ethenyl]-1H-pyrazole?
The IUPAC name of 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole (CID 42633714) is 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole.
What is the SMILES notation for 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole?
The canonical SMILES for 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole is C(=C/c1ccco1)\c1ccn[nH]1.
What is the InChIKey of 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole?
The InChIKey is PJLORFGDSVWAEC-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H8N2O/c1-2-9(12-7-1)4-3-8-5-6-10-11-8/h1-7H,(H,10,11)/b4-3+.
What are the key properties of 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole?
5-[(E)-2-(furan-2-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-2-yl)ethenyl]-1H-pyrazole is sourced from PubChem (CID 42633714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).