1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)methanimine

C23H18FN3O — CID 1079582

IUPAC1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H18FN3O/c1-28-22-13-11-20(12-14-22)25-15-18-16-27(21-5-3-2-4-6-21)26-23(18)17-7-9-19(24)10-8-17/h2-16H,1H3/b25-15+
InChIKeyIWTKZCAVQDIIJN-MFKUBSTISA-N
MW371.42 g/mol
LogP5.44
Rot. Bonds5

About 1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)methanimine

1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)methanimine (PubChem CID 1079582) has the molecular formula C23H18FN3O and a molecular weight of 371.42 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)methanimine
PubChem CID1079582
Molecular FormulaC23H18FN3O
Molecular Weight371.42 g/mol
Exact Mass371.14
IUPAC Name1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H18FN3O/c1-28-22-13-11-20(12-14-22)25-15-18-16-27(21-5-3-2-4-6-21)26-23(18)17-7-9-19(24)10-8-17/h2-16H,1H3/b25-15+
InChIKeyIWTKZCAVQDIIJN-MFKUBSTISA-N
XLogP5.44
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.42
LogP ≤ 55.44
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-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)methanimine?
The IUPAC name of 1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)methanimine (CID 1079582) is 1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)methanimine.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)methanimine?
The canonical SMILES for 1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)methanimine is COc1ccc(/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)methanimine?
The InChIKey is IWTKZCAVQDIIJN-MFKUBSTISA-N. The full InChI is InChI=1S/C23H18FN3O/c1-28-22-13-11-20(12-14-22)25-15-18-16-27(21-5-3-2-4-6-21)26-23(18)17-7-9-19(24)10-8-17/h2-16H,1H3/b25-15+.
What are the key properties of 1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)methanimine?
1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)methanimine has a molecular weight of 371.42 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 1079582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).