2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]ethanol

C18H16FN3O — CID 71688043

IUPAC2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]ethanol
SMILESOCC/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O/c19-16-8-6-14(7-9-16)18-15(12-20-10-11-23)13-22(21-18)17-4-2-1-3-5-17/h1-9,12-13,23H,10-11H2/b20-12+
InChIKeyMLVMVWPHHLTKNM-UDWIEESQSA-N
MW309.34 g/mol
LogP3.09
Rot. Bonds5

About 2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]ethanol

2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]ethanol (PubChem CID 71688043) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]ethanol.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]ethanol
PubChem CID71688043
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]ethanol
SMILESOCC/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O/c19-16-8-6-14(7-9-16)18-15(12-20-10-11-23)13-22(21-18)17-4-2-1-3-5-17/h1-9,12-13,23H,10-11H2/b20-12+
InChIKeyMLVMVWPHHLTKNM-UDWIEESQSA-N
XLogP3.09
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
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 2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]ethanol?
The IUPAC name of 2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]ethanol (CID 71688043) is 2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]ethanol.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]ethanol?
The canonical SMILES for 2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]ethanol is OCC/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]ethanol?
The InChIKey is MLVMVWPHHLTKNM-UDWIEESQSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-16-8-6-14(7-9-16)18-15(12-20-10-11-23)13-22(21-18)17-4-2-1-3-5-17/h1-9,12-13,23H,10-11H2/b20-12+.
What are the key properties of 2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]ethanol?
2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]ethanol has a molecular weight of 309.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]ethanol is sourced from PubChem (CID 71688043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).