(E)-1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine

C22H20N4O2 — CID 6902900

IUPAC(E)-1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine
SMILESC(=N/N1CCOCC1)\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1
InChIInChI=1S/C22H20N4O2/c1-2-7-19(8-3-1)26-16-18(15-23-25-10-12-27-13-11-25)22(24-26)21-14-17-6-4-5-9-20(17)28-21/h1-9,14-16H,10-13H2/b23-15+
InChIKeyWDBQAPVWYVXBPB-HZHRSRAPSA-N
MW372.43 g/mol
LogP3.95
Rot. Bonds4

About (E)-1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine

(E)-1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine (PubChem CID 6902900) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is (E)-1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine.

Molecular Properties

Compound Name(E)-1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine
PubChem CID6902900
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name(E)-1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine
SMILESC(=N/N1CCOCC1)\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1
InChIInChI=1S/C22H20N4O2/c1-2-7-19(8-3-1)26-16-18(15-23-25-10-12-27-13-11-25)22(24-26)21-14-17-6-4-5-9-20(17)28-21/h1-9,14-16H,10-13H2/b23-15+
InChIKeyWDBQAPVWYVXBPB-HZHRSRAPSA-N
XLogP3.95
TPSA55.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine?
The IUPAC name of (E)-1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine (CID 6902900) is (E)-1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine.
What is the SMILES notation for (E)-1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine?
The canonical SMILES for (E)-1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine is C(=N/N1CCOCC1)\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1.
What is the InChIKey of (E)-1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine?
The InChIKey is WDBQAPVWYVXBPB-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-2-7-19(8-3-1)26-16-18(15-23-25-10-12-27-13-11-25)22(24-26)21-14-17-6-4-5-9-20(17)28-21/h1-9,14-16H,10-13H2/b23-15+.
What are the key properties of (E)-1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine?
(E)-1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine has a molecular weight of 372.43 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine is sourced from PubChem (CID 6902900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).