1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-benzylmethanimine

C25H19N3O — CID 2333875

IUPAC1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-benzylmethanimine
SMILESC(=N/Cc1ccccc1)\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1
InChIInChI=1S/C25H19N3O/c1-3-9-19(10-4-1)16-26-17-21-18-28(22-12-5-2-6-13-22)27-25(21)24-15-20-11-7-8-14-23(20)29-24/h1-15,17-18H,16H2/b26-17+
InChIKeyLSBNRYBNQDMHDG-YZSQISJMSA-N
MW377.45 g/mol
LogP5.90
Rot. Bonds5

About 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-benzylmethanimine

1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-benzylmethanimine (PubChem CID 2333875) has the molecular formula C25H19N3O and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-benzylmethanimine.

Molecular Properties

Compound Name1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-benzylmethanimine
PubChem CID2333875
Molecular FormulaC25H19N3O
Molecular Weight377.45 g/mol
Exact Mass377.15
IUPAC Name1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-benzylmethanimine
SMILESC(=N/Cc1ccccc1)\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1
InChIInChI=1S/C25H19N3O/c1-3-9-19(10-4-1)16-26-17-21-18-28(22-12-5-2-6-13-22)27-25(21)24-15-20-11-7-8-14-23(20)29-24/h1-15,17-18H,16H2/b26-17+
InChIKeyLSBNRYBNQDMHDG-YZSQISJMSA-N
XLogP5.90
TPSA43.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-benzylmethanimine?
The IUPAC name of 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-benzylmethanimine (CID 2333875) is 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-benzylmethanimine.
What is the SMILES notation for 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-benzylmethanimine?
The canonical SMILES for 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-benzylmethanimine is C(=N/Cc1ccccc1)\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1.
What is the InChIKey of 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-benzylmethanimine?
The InChIKey is LSBNRYBNQDMHDG-YZSQISJMSA-N. The full InChI is InChI=1S/C25H19N3O/c1-3-9-19(10-4-1)16-26-17-21-18-28(22-12-5-2-6-13-22)27-25(21)24-15-20-11-7-8-14-23(20)29-24/h1-15,17-18H,16H2/b26-17+.
What are the key properties of 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-benzylmethanimine?
1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-benzylmethanimine has a molecular weight of 377.45 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-benzylmethanimine is sourced from PubChem (CID 2333875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).