(E)-1-(furan-2-yl)-3-pyrazol-1-ylprop-2-en-1-one

C10H8N2O2 — CID 167993227

IUPAC(E)-1-(furan-2-yl)-3-pyrazol-1-ylprop-2-en-1-one
SMILESO=C(/C=C/n1cccn1)c1ccco1
InChIInChI=1S/C10H8N2O2/c13-9(10-3-1-8-14-10)4-7-12-6-2-5-11-12/h1-8H/b7-4+
InChIKeyHICONKOCWKKWGZ-QPJJXVBHSA-N
MW188.19 g/mol
LogP1.83
Rot. Bonds3

About (E)-1-(furan-2-yl)-3-pyrazol-1-ylprop-2-en-1-one

(E)-1-(furan-2-yl)-3-pyrazol-1-ylprop-2-en-1-one (PubChem CID 167993227) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is (E)-1-(furan-2-yl)-3-pyrazol-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(furan-2-yl)-3-pyrazol-1-ylprop-2-en-1-one
PubChem CID167993227
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name(E)-1-(furan-2-yl)-3-pyrazol-1-ylprop-2-en-1-one
SMILESO=C(/C=C/n1cccn1)c1ccco1
InChIInChI=1S/C10H8N2O2/c13-9(10-3-1-8-14-10)4-7-12-6-2-5-11-12/h1-8H/b7-4+
InChIKeyHICONKOCWKKWGZ-QPJJXVBHSA-N
XLogP1.83
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(furan-2-yl)-3-pyrazol-1-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(furan-2-yl)-3-pyrazol-1-ylprop-2-en-1-one (CID 167993227) is (E)-1-(furan-2-yl)-3-pyrazol-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(furan-2-yl)-3-pyrazol-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(furan-2-yl)-3-pyrazol-1-ylprop-2-en-1-one is O=C(/C=C/n1cccn1)c1ccco1.
What is the InChIKey of (E)-1-(furan-2-yl)-3-pyrazol-1-ylprop-2-en-1-one?
The InChIKey is HICONKOCWKKWGZ-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-9(10-3-1-8-14-10)4-7-12-6-2-5-11-12/h1-8H/b7-4+.
What are the key properties of (E)-1-(furan-2-yl)-3-pyrazol-1-ylprop-2-en-1-one?
(E)-1-(furan-2-yl)-3-pyrazol-1-ylprop-2-en-1-one has a molecular weight of 188.19 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(furan-2-yl)-3-pyrazol-1-ylprop-2-en-1-one is sourced from PubChem (CID 167993227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).