4-[(3-fluorophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

C17H14FN3O — CID 950433

IUPAC4-[(3-fluorophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1/C=N/c1cccc(F)c1
InChIInChI=1S/C17H14FN3O/c1-12-16(11-19-14-7-5-6-13(18)10-14)17(22)21(20-12)15-8-3-2-4-9-15/h2-11,20H,1H3/b19-11+
InChIKeyBUFRNUWOANISDH-YBFXNURJSA-N
MW295.32 g/mol
LogP3.36
Rot. Bonds3

About 4-[(3-fluorophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

4-[(3-fluorophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one (PubChem CID 950433) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-[(3-fluorophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
PubChem CID950433
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC Name4-[(3-fluorophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1/C=N/c1cccc(F)c1
InChIInChI=1S/C17H14FN3O/c1-12-16(11-19-14-7-5-6-13(18)10-14)17(22)21(20-12)15-8-3-2-4-9-15/h2-11,20H,1H3/b19-11+
InChIKeyBUFRNUWOANISDH-YBFXNURJSA-N
XLogP3.36
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[(3-fluorophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 4-[(3-fluorophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one (CID 950433) is 4-[(3-fluorophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-[(3-fluorophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 4-[(3-fluorophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one is Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/c1cccc(F)c1.
What is the InChIKey of 4-[(3-fluorophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one?
The InChIKey is BUFRNUWOANISDH-YBFXNURJSA-N. The full InChI is InChI=1S/C17H14FN3O/c1-12-16(11-19-14-7-5-6-13(18)10-14)17(22)21(20-12)15-8-3-2-4-9-15/h2-11,20H,1H3/b19-11+.
What are the key properties of 4-[(3-fluorophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one?
4-[(3-fluorophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one has a molecular weight of 295.32 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 950433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).