1-(1,3-diphenylpyrazol-4-yl)-N-(4-methoxyphenyl)methanimine

C23H19N3O — CID 1180841

IUPAC1-(1,3-diphenylpyrazol-4-yl)-N-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H19N3O/c1-27-22-14-12-20(13-15-22)24-16-19-17-26(21-10-6-3-7-11-21)25-23(19)18-8-4-2-5-9-18/h2-17H,1H3/b24-16+
InChIKeyWFRLBCZRESHEIY-LFVJCYFKSA-N
MW353.43 g/mol
LogP5.30
Rot. Bonds5

About 1-(1,3-diphenylpyrazol-4-yl)-N-(4-methoxyphenyl)methanimine

1-(1,3-diphenylpyrazol-4-yl)-N-(4-methoxyphenyl)methanimine (PubChem CID 1180841) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-(1,3-diphenylpyrazol-4-yl)-N-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(1,3-diphenylpyrazol-4-yl)-N-(4-methoxyphenyl)methanimine
PubChem CID1180841
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name1-(1,3-diphenylpyrazol-4-yl)-N-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H19N3O/c1-27-22-14-12-20(13-15-22)24-16-19-17-26(21-10-6-3-7-11-21)25-23(19)18-8-4-2-5-9-18/h2-17H,1H3/b24-16+
InChIKeyWFRLBCZRESHEIY-LFVJCYFKSA-N
XLogP5.30
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.30
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-(1,3-diphenylpyrazol-4-yl)-N-(4-methoxyphenyl)methanimine?
The IUPAC name of 1-(1,3-diphenylpyrazol-4-yl)-N-(4-methoxyphenyl)methanimine (CID 1180841) is 1-(1,3-diphenylpyrazol-4-yl)-N-(4-methoxyphenyl)methanimine.
What is the SMILES notation for 1-(1,3-diphenylpyrazol-4-yl)-N-(4-methoxyphenyl)methanimine?
The canonical SMILES for 1-(1,3-diphenylpyrazol-4-yl)-N-(4-methoxyphenyl)methanimine is COc1ccc(/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1.
What is the InChIKey of 1-(1,3-diphenylpyrazol-4-yl)-N-(4-methoxyphenyl)methanimine?
The InChIKey is WFRLBCZRESHEIY-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H19N3O/c1-27-22-14-12-20(13-15-22)24-16-19-17-26(21-10-6-3-7-11-21)25-23(19)18-8-4-2-5-9-18/h2-17H,1H3/b24-16+.
What are the key properties of 1-(1,3-diphenylpyrazol-4-yl)-N-(4-methoxyphenyl)methanimine?
1-(1,3-diphenylpyrazol-4-yl)-N-(4-methoxyphenyl)methanimine has a molecular weight of 353.43 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diphenylpyrazol-4-yl)-N-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 1180841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).