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

C11H14N2O — CID 91158079

IUPACethane;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole
SMILESC(=C/c1ccco1)\c1ccn[nH]1.CC
InChIInChI=1S/C9H8N2O.C2H6/c1-2-9(12-7-1)4-3-8-5-6-10-11-8;1-2/h1-7H,(H,10,11);1-2H3/b4-3+;
InChIKeyDLXIKALZWPICKK-BJILWQEISA-N
MW190.25 g/mol
LogP3.20
Rot. Bonds2

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

ethane;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole (PubChem CID 91158079) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is ethane;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole.

Molecular Properties

Compound Nameethane;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole
PubChem CID91158079
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Nameethane;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole
SMILESC(=C/c1ccco1)\c1ccn[nH]1.CC
InChIInChI=1S/C9H8N2O.C2H6/c1-2-9(12-7-1)4-3-8-5-6-10-11-8;1-2/h1-7H,(H,10,11);1-2H3/b4-3+;
InChIKeyDLXIKALZWPICKK-BJILWQEISA-N
XLogP3.20
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole?
The IUPAC name of ethane;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole (CID 91158079) is ethane;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole.
What is the SMILES notation for ethane;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole?
The canonical SMILES for ethane;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole is C(=C/c1ccco1)\c1ccn[nH]1.CC.
What is the InChIKey of ethane;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole?
The InChIKey is DLXIKALZWPICKK-BJILWQEISA-N. The full InChI is InChI=1S/C9H8N2O.C2H6/c1-2-9(12-7-1)4-3-8-5-6-10-11-8;1-2/h1-7H,(H,10,11);1-2H3/b4-3+;.
What are the key properties of ethane;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole?
ethane;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole has a molecular weight of 190.25 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole is sourced from PubChem (CID 91158079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).