5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]naphthalen-1-ol

C28H19N3O2 — CID 23847292

IUPAC5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]naphthalen-1-ol
SMILESOc1cccc2c(/N=C/c3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)cccc12
InChIInChI=1S/C28H19N3O2/c32-25-14-7-11-22-23(25)12-6-13-24(22)29-17-20-18-31(21-9-2-1-3-10-21)30-28(20)27-16-19-8-4-5-15-26(19)33-27/h1-18,32H/b29-17+
InChIKeyAKWZBFSGWDEQDT-STBIYBPSSA-N
MW429.48 g/mol
LogP6.89
Rot. Bonds4

About 5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]naphthalen-1-ol

5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]naphthalen-1-ol (PubChem CID 23847292) has the molecular formula C28H19N3O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]naphthalen-1-ol.

Molecular Properties

Compound Name5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]naphthalen-1-ol
PubChem CID23847292
Molecular FormulaC28H19N3O2
Molecular Weight429.48 g/mol
Exact Mass429.15
IUPAC Name5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]naphthalen-1-ol
SMILESOc1cccc2c(/N=C/c3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)cccc12
InChIInChI=1S/C28H19N3O2/c32-25-14-7-11-22-23(25)12-6-13-24(22)29-17-20-18-31(21-9-2-1-3-10-21)30-28(20)27-16-19-8-4-5-15-26(19)33-27/h1-18,32H/b29-17+
InChIKeyAKWZBFSGWDEQDT-STBIYBPSSA-N
XLogP6.89
TPSA63.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.48
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]naphthalen-1-ol?
The IUPAC name of 5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]naphthalen-1-ol (CID 23847292) is 5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]naphthalen-1-ol.
What is the SMILES notation for 5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]naphthalen-1-ol?
The canonical SMILES for 5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]naphthalen-1-ol is Oc1cccc2c(/N=C/c3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)cccc12.
What is the InChIKey of 5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]naphthalen-1-ol?
The InChIKey is AKWZBFSGWDEQDT-STBIYBPSSA-N. The full InChI is InChI=1S/C28H19N3O2/c32-25-14-7-11-22-23(25)12-6-13-24(22)29-17-20-18-31(21-9-2-1-3-10-21)30-28(20)27-16-19-8-4-5-15-26(19)33-27/h1-18,32H/b29-17+.
What are the key properties of 5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]naphthalen-1-ol?
5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]naphthalen-1-ol has a molecular weight of 429.48 g/mol, XLogP of 6.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]naphthalen-1-ol is sourced from PubChem (CID 23847292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).